data_2ysz_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 2ysz _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 ' 15' ' ' VAL . . . . . 0.401 HG22 ' C ' ' A' ' 60' ' ' VAL . 14.4 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.757 0.313 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -102.26 140.05 37.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.76 139.92 44.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -123.66 131.08 53.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -74.72 113.1 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.3 m -149.81 171.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -103.42 168.49 9.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -118.14 107.29 13.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.462 HD22 ' CZ2' ' A' ' 53' ' ' TRP . 5.8 mp -76.68 -47.42 22.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.04 -161.69 30.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.529 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 32.8 ttp -132.35 131.23 41.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.95 120.63 18.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 144.52 54.27 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.294 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 m -120.69 155.45 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -88.72 -38.33 14.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 -110.69 144.27 29.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -27.63 26.15 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.299 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.9 m -128.02 166.08 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.13 106.32 2.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.8 mmt -58.14 -24.84 60.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -74.14 -22.6 59.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 98.8 m -90.61 -46.63 8.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -59.28 -50.0 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.14 -24.99 65.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.481 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 31.2 t -71.89 -18.42 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.15 -26.04 17.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.2 mt -65.0 -60.3 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -53.87 -41.09 67.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 39' ' ' SER . 93.0 m-20 -49.89 -46.32 51.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.4 mt -74.7 -42.05 59.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 mtt -55.54 -38.56 69.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.2 p -63.94 -49.98 70.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 t -55.69 -68.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 p -101.48 146.63 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.419 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.1 m -87.46 -177.96 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.502 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 37.3 tttm -60.67 -48.27 82.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.34 -19.71 60.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -72.29 -25.53 61.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.502 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 5.6 m0 -78.33 120.43 81.07 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.51 0.672 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 149.16 66.26 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.691 2.261 . . . . 0.0 112.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -81.28 123.43 28.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.458 HG13 ' CD1' ' A' ' 77' ' ' LEU . 11.3 m -135.74 155.66 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -96.13 122.8 39.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 49.2 ttm -89.76 102.77 15.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -88.9 113.08 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.401 ' C ' HG22 ' A' ' 15' ' ' VAL . 60.5 t -111.94 103.28 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -80.96 179.82 7.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -40.71 -70.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.56 40.53 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 61' ' ' ALA . 4.6 m -154.83 151.46 28.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.6 t -134.03 101.08 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.105 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -102.38 139.18 38.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.407 HG23 ' CZ ' ' A' ' 113' ' ' PHE . 95.8 t -103.39 113.29 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.4 mt -112.04 143.64 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 t -79.94 169.54 17.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -86.5 -39.53 16.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 ptpt -58.37 -27.42 64.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -150.1 156.43 41.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -95.82 -33.99 12.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -77.28 -6.04 51.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 76' ' ' VAL . 4.9 tp10 -78.84 110.98 14.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.498 ' N ' ' OE1' ' A' ' 75' ' ' GLU . 49.1 t -100.62 97.7 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.458 ' CD1' HG13 ' A' ' 56' ' ' VAL . 72.8 mt -66.0 -42.79 89.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.438 HG21 ' CE1' ' A' ' 111' ' ' HIS . 86.5 t -154.73 131.29 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -108.0 98.7 8.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 36.9 t -108.12 146.29 32.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 18.9 mtp85 -123.67 131.53 53.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.1 t -49.81 -35.04 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -61.54 -38.48 87.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -79.25 -30.79 43.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tt -47.54 112.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.2 p -88.35 -45.47 9.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -152.04 143.66 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.43 ' HE1' ' CD1' ' A' ' 172' ' ' TYR . 4.5 ptp -138.93 140.51 38.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.52 176.88 34.56 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.0 t -114.86 141.13 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -66.65 167.14 38.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' GLY . 29.3 tptt -37.49 -30.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 91' ' ' GLY . 3.6 m-20 -98.76 150.15 22.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.7 m -86.48 4.66 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.409 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 5.6 m80 -102.61 7.48 39.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.8 p -125.84 148.06 49.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.43 ' CZ ' HG11 ' A' ' 126' ' ' VAL . 31.8 t80 -140.02 121.45 15.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -131.59 136.9 48.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 6.6 p90 -134.6 141.94 46.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.4 mt -100.68 119.94 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.2 ptm -112.43 162.67 15.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -92.95 118.8 31.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.401 HG22 ' CG ' ' A' ' 109' ' ' GLU . 77.0 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -119.81 145.14 46.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.401 ' CG ' HG22 ' A' ' 103' ' ' THR . 81.4 mm-40 -107.37 152.21 24.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.1 t -128.83 108.93 10.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.529 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 71.5 m-70 -95.12 147.95 22.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.01 147.0 27.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.407 ' CZ ' HG23 ' A' ' 67' ' ' VAL . 58.3 m-85 -145.22 130.01 18.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 45.9 t-105 -79.84 123.75 28.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 60.7 m -103.25 137.67 41.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 10.8 mm-40 -125.94 129.78 24.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.2 Cg_endo -69.79 -46.14 0.38 Allowed 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.331 0.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.66 -175.82 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.405 ' C ' HD22 ' A' ' 164' ' ' LEU . . . -102.9 47.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.422 ' N ' HD22 ' A' ' 164' ' ' LEU . . . -83.53 -47.28 11.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -77.38 -32.16 54.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 50.5 t -71.84 -67.55 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.6 p -52.87 -19.02 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -80.44 -35.24 35.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.4 -49.71 21.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.43 HG11 ' CZ ' ' A' ' 97' ' ' PHE . 7.4 p -59.22 -48.39 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.403 ' CG ' ' N ' ' A' ' 128' ' ' ALA . 6.5 pt20 -62.6 -42.73 99.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . -71.87 -24.68 61.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.14 -32.96 71.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.065 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 3.4 t60 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.863 0.364 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 120' ' ' ALA . 11.9 mt -43.25 -30.32 0.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 36.1 m -70.18 -51.94 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -46.94 -46.33 21.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 63.8 mmm -54.86 -46.31 74.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -80.26 6.37 12.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -105.59 -70.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -107.01 -25.96 11.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 74.12 -169.94 53.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.447 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . 0.43 ' CD1' ' HE1' ' A' ' 88' ' ' MET . 5.0 t80 -130.4 111.07 11.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.971 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -96.1 113.06 24.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 25.1 t30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.443 HG21 ' N ' ' A' ' 16' ' ' GLN . 7.7 p . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.749 0.309 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.443 ' N ' HG21 ' A' ' 15' ' ' VAL . 38.6 mt-30 -110.7 131.64 54.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -97.1 144.76 26.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -133.07 125.67 30.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -69.65 118.95 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -154.04 -178.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -118.61 164.32 15.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -115.72 108.78 16.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.508 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 6.3 mp -74.88 -38.81 61.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.92 -170.84 27.04 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -117.31 141.08 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.91 118.51 5.56 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.587 0.708 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.39 54.14 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.368 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.7 m -117.81 153.1 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -84.17 -35.21 23.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -112.94 144.79 31.75 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -26.2 27.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.249 . . . . 0.0 112.28 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 m -134.75 173.3 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.11 102.72 2.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.6 mmt -42.44 -54.37 3.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -45.86 -41.54 11.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.1 m -72.21 -41.33 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.05 -54.73 37.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -57.85 -32.26 67.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.9 t -58.77 -29.93 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.25 -28.4 34.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 mt -68.45 -60.65 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -52.72 -49.15 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -41.64 -39.94 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mt -82.61 -57.47 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.0 mtt -41.8 -39.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.5 p -62.9 -52.61 62.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.1 t -62.34 -73.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.8 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.5 m -82.21 156.62 24.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -104.37 174.69 5.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.554 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 20.3 tttm -61.2 -20.62 62.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -94.35 -21.23 19.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -75.54 -22.89 56.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.554 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 4.1 m0 -77.14 112.71 24.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 144.32 53.5 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.3 m -75.87 127.35 32.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.9 m -138.5 166.89 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -105.32 116.9 32.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.496 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 39.7 ttm -82.79 99.82 9.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -81.27 110.03 16.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.47 99.37 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.5 -175.39 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -46.29 -72.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.421 ' C ' HG23 ' A' ' 82' ' ' VAL . . . -121.11 32.41 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.0 m -151.08 127.2 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.2 t -113.94 107.79 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -109.34 148.83 30.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.7 t -111.23 123.32 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.3 mt -122.29 149.55 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.7 t -62.61 163.67 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -64.21 -46.66 82.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -89.71 -65.81 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -59.02 133.07 55.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -91.27 -42.32 10.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.62 -29.81 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -51.57 102.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 p -105.66 107.69 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mt -79.19 -52.41 8.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.8 t -129.81 146.64 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -134.51 94.86 3.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.424 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 50.2 t -107.27 146.62 31.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' PHE . 54.1 mtt85 -116.83 124.45 49.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 81' ' ' ARG . 57.5 t -35.6 -52.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -57.69 -43.18 84.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' ARG . 3.7 m-85 -69.27 -20.52 63.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 tt -54.75 110.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 87' ' ' PHE . 13.7 p -73.9 -60.51 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.422 ' N ' ' OG ' ' A' ' 86' ' ' SER . 68.6 t80 -154.09 127.59 8.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.4 ptp -110.93 157.25 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.51 172.36 44.88 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 91' ' ' GLY . 55.5 t -117.01 138.09 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.45 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -66.56 174.36 23.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -47.8 -21.3 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.99 136.34 48.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.1 m -71.92 -11.35 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -87.46 17.56 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.8 p -138.42 147.55 43.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -144.48 117.51 8.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -127.52 139.0 53.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.424 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 15.8 p90 -132.81 142.72 49.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.7 mt -99.84 114.47 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.438 ' SD ' ' C ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -107.07 167.48 9.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 102' ' ' ASP . 0.3 OUTLIER -106.31 115.87 30.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.7 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -127.69 133.33 49.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.37 148.43 27.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.9 t -125.16 107.24 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -93.58 149.17 21.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.09 143.58 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.496 ' CG ' ' CE ' ' A' ' 58' ' ' MET . 30.5 m-85 -144.11 130.22 19.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -84.49 121.9 28.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 72.6 m -93.98 166.17 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.439 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 45.9 mt-10 -151.77 124.13 3.99 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.625 0.726 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.439 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 54.3 Cg_endo -69.68 -47.35 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.747 -1.772 . . . . 0.0 112.362 -0.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 120' ' ' ALA . 3.4 p30 -124.15 -175.44 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -102.03 51.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.41 ' N ' ' OD1' ' A' ' 118' ' ' ASN . . . -81.7 -51.04 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -79.25 -34.61 42.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.84 -57.03 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.2 m -68.1 -29.89 68.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.87 -38.72 83.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.03 -52.88 36.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.32 -46.96 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.469 ' HG3' ' CD2' ' A' ' 172' ' ' TYR . 38.0 tt0 -55.03 -51.57 65.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.19 -28.05 63.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.09 -34.66 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 96.8 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 -179.897 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 13.6 t60 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.801 0.334 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 48.9 mt -47.81 -52.82 17.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 67.8 m -48.55 -47.74 39.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt -55.3 -30.68 60.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 45.3 mmm -73.63 -43.15 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -82.14 -2.33 51.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -95.25 -71.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -112.06 -33.8 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 85.07 -172.43 47.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . 0.469 ' CD2' ' HG3' ' A' ' 127' ' ' GLN . 10.0 t80 -118.43 117.7 29.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.346 . . . . 0.0 110.902 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -99.3 113.71 26.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.682 0.753 . . . . 0.0 110.889 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 16' ' ' GLN . 47.3 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.812 0.339 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' N ' ' CG1' ' A' ' 15' ' ' VAL . 32.2 mt-30 -102.94 113.45 26.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -94.51 119.06 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -108.13 124.46 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.46 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 8.7 tpp85 -65.58 123.07 18.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 19' ' ' ARG . 18.1 m -159.45 163.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -104.1 151.25 23.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -103.38 108.91 20.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.56 HD21 ' CH2' ' A' ' 53' ' ' TRP . 5.5 mp -73.35 -42.89 61.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.89 -172.68 30.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.495 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 25.9 ttp -116.75 138.33 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.421 ' CD1' ' O ' ' A' ' 27' ' ' PRO . 0.7 OUTLIER -142.91 117.79 6.43 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.421 ' O ' ' CD1' ' A' ' 26' ' ' LEU . 53.7 Cg_endo -69.79 152.1 69.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.266 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.5 m -123.21 175.36 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -108.73 -31.04 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -113.31 145.67 33.71 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.528 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.3 Cg_endo -69.78 -29.94 22.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.4 m -138.47 153.48 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.3 108.99 0.99 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.8 mmt -53.11 -48.02 68.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -49.69 -26.02 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 87.3 m -94.51 -44.41 7.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 tt -55.45 -47.43 76.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -70.23 -41.73 73.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.6 t -52.33 -19.6 2.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.92 -27.82 19.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.448 ' CD1' ' HA3' ' A' ' 91' ' ' GLY . 51.2 mt -65.75 -55.57 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -55.1 -51.43 66.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -39.1 -48.22 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 mt -74.52 -54.98 6.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.422 ' HG2' ' CD2' ' A' ' 23' ' ' LEU . 6.0 mtt -42.28 -42.05 2.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.4 p -63.54 -47.69 80.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.165 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.4 t -63.61 -69.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.3 m -90.15 145.65 24.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 m -96.43 164.09 12.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.811 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.0 tptp -43.89 -50.3 8.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.36 -28.23 66.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.7 -26.42 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.56 ' CH2' HD21 ' A' ' 23' ' ' LEU . 2.0 m0 -79.78 117.23 66.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.55 0.691 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 155.88 64.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.737 2.292 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 p -89.59 114.8 26.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.4 m -121.36 179.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -120.31 130.98 54.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.5 ttm -86.98 98.13 11.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.459 ' ND2' HG13 ' A' ' 68' ' ' ILE . 9.4 m-80 -81.64 94.95 7.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 66.2 t -96.32 101.01 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.93 174.28 6.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.074 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -41.23 99.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 54.96 46.14 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 65' ' ' VAL . 23.9 m -158.79 143.64 16.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.438 ' N ' HG23 ' A' ' 64' ' ' THR . 75.5 t -136.58 105.32 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.442 ' CG2' HG21 ' A' ' 76' ' ' VAL . 56.0 m -111.35 148.28 33.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.486 HG23 ' CZ ' ' A' ' 113' ' ' PHE . 40.2 t -107.86 125.18 64.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.459 HG13 ' ND2' ' A' ' 59' ' ' ASN . 32.1 mt -122.44 143.33 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -71.54 119.44 15.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -43.26 -26.36 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -77.94 -66.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 73' ' ' GLU . 64.4 t-20 -101.7 144.8 29.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.493 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 4.3 mp0 -82.0 -60.48 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -54.03 -19.52 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -67.7 88.57 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.442 HG21 ' CG2' ' A' ' 66' ' ' THR . 10.5 p -91.02 105.23 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.6 mt -70.93 -61.3 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.5 t -127.63 152.4 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -132.86 95.65 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.8 t -107.43 147.93 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 82' ' ' VAL . 23.6 mtt-85 -127.58 119.4 25.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 81' ' ' ARG . 44.6 t -34.66 -61.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -39.14 -43.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 85' ' ' LEU . 38.8 m-85 -72.92 -40.48 65.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 84' ' ' PHE . 2.2 tt -35.58 122.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 81.3 p -92.13 -42.52 9.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -160.2 134.98 7.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.8 ptp -128.28 144.28 51.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -158.08 -167.88 19.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 62.2 t -126.93 129.16 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.381 . . . . 0.0 111.111 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 41' ' ' ILE . . . -54.84 -171.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -54.65 -29.14 51.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.18 133.48 52.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.7 m -60.33 -23.24 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -68.19 -20.45 64.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.6 p -96.01 150.82 20.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -147.86 113.33 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -121.99 152.95 39.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -144.62 137.76 26.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.5 mt -99.62 116.81 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.5 ptm -109.4 162.8 14.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -114.78 108.75 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.179 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 107' ' ' ARG . 6.0 ptm180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.861 0.363 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 5.5 m-85 -110.99 148.69 31.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -106.64 126.53 52.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.4 t -104.2 104.61 14.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.495 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 86.3 m-70 -96.85 130.68 44.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.5 144.56 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.486 ' CZ ' HG23 ' A' ' 67' ' ' VAL . 77.9 m-85 -143.1 124.89 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -73.31 117.63 15.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 74.4 m -91.6 161.17 15.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 14.5 mt-10 -147.15 127.95 7.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.714 . . . . 0.0 110.909 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.3 Cg_endo -69.75 -46.45 0.36 Allowed 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.362 -0.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.33 -175.71 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -100.7 40.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.99 -52.29 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -67.28 -53.72 27.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 80.6 t -53.42 -57.53 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.3 p -56.88 -39.11 73.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -62.97 -42.34 99.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.95 88.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 127' ' ' GLN . 7.3 p -70.91 -41.22 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.425 ' N ' HG12 ' A' ' 126' ' ' VAL . 40.2 tt0 -59.07 -50.47 73.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.54 90.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.97 -47.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 71.7 m . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 6.2 t60 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 19.5 mt -46.41 -43.87 16.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 4.3 m -53.89 -55.34 27.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -43.16 -44.02 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 9.7 mtp -61.36 -40.8 95.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.12 -23.03 57.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -77.84 -73.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -102.31 -35.2 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 87.88 -160.42 31.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -132.71 122.89 25.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -105.38 107.23 18.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.742 0.306 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -124.9 145.27 49.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -107.39 158.73 16.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -137.74 125.84 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -66.81 110.24 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -149.02 -175.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -123.73 165.89 16.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -117.34 115.29 24.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.408 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 4.8 mp -80.23 -43.92 20.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.34 178.42 27.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 26' ' ' LEU . 11.6 tmm? -106.05 138.99 41.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.482 ' N ' ' SD ' ' A' ' 25' ' ' MET . 0.3 OUTLIER -140.64 117.34 7.8 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.608 0.718 . . . . 0.0 110.952 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.448 ' N ' HD11 ' A' ' 26' ' ' LEU . 53.5 Cg_endo -69.76 148.96 66.23 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.74 139.22 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -89.27 -1.51 58.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 mmt-85 -126.46 132.83 24.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.726 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -28.92 24.46 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.631 2.221 . . . . 0.0 112.327 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.33 -175.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.122 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.02 113.79 3.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.6 mmt -61.02 -30.77 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.44 -17.24 63.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.7 m -98.23 -45.3 6.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tt -59.15 -50.73 72.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -64.45 -32.14 73.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.2 t -63.88 -20.42 65.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.59 -19.14 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.7 mt -75.09 -61.89 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -53.12 -35.51 59.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -55.56 -39.07 70.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.8 mt -81.95 -44.63 16.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 mtt -55.6 -46.26 77.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.9 p -60.52 -35.14 75.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 t -73.88 -66.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.0 m -103.68 154.66 19.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.7 m -95.39 175.37 6.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 13.3 tptm -57.92 -51.05 71.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -67.45 -19.72 65.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.69 -23.44 56.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.553 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 12.0 m0 -76.87 120.53 82.06 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.582 0.705 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 131.14 20.68 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.756 2.304 . . . . 0.0 112.31 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.2 m -68.86 122.99 19.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.0 m -132.16 -175.38 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -124.32 124.03 41.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.42 ' HE3' ' CD1' ' A' ' 113' ' ' PHE . 29.7 ttm -87.24 107.13 18.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -91.08 116.3 28.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.3 t -117.85 101.88 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -81.67 -176.07 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -45.91 -70.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.43 ' C ' HG21 ' A' ' 82' ' ' VAL . . . -118.64 43.13 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 61' ' ' ALA . 4.7 m -160.66 149.24 16.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.123 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.6 t -133.44 100.11 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.0 m -102.54 149.05 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.402 HG13 ' CD1' ' A' ' 77' ' ' LEU . 53.3 t -113.32 117.75 56.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 40.4 mt -112.13 149.12 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 75' ' ' GLU . 5.2 t -91.06 148.8 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.73 -21.71 65.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -67.27 -61.01 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -127.05 134.86 50.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.42 -25.81 67.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.25 1.96 53.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.472 ' CD ' ' CB ' ' A' ' 69' ' ' SER . 56.7 tt0 -83.63 82.53 8.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.454 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 10.2 p -79.81 87.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.402 ' CD1' HG13 ' A' ' 67' ' ' VAL . 12.9 mt -52.79 -57.97 8.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.3 t -137.63 154.9 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -128.42 96.16 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.1 t -99.77 147.21 25.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -132.62 132.09 42.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.496 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 3.7 m -53.95 -40.15 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -73.51 2.28 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -123.39 -13.58 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.49 128.7 37.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 t -93.22 -50.68 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -152.19 144.6 24.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.6 ptp -137.8 157.05 47.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.59 173.78 46.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.443 HG11 ' N ' ' A' ' 91' ' ' GLY . 56.3 t -107.53 144.5 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.887 0.375 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.443 ' N ' HG11 ' A' ' 90' ' ' VAL . . . -67.53 -160.82 1.41 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -62.81 -39.92 95.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.772 0.32 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -98.87 138.1 36.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.4 m -64.73 -8.39 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -82.32 -19.38 39.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.44 HG22 ' CE3' ' A' ' 114' ' ' TRP . 59.1 p -98.89 149.09 23.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -149.31 118.76 6.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.29 144.56 51.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -131.48 155.57 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.1 mt -111.7 115.25 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.411 ' SD ' ' C ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -110.36 165.6 11.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.516 ' OD2' ' CE1' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -109.74 117.26 33.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.836 0.351 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.516 ' CE1' ' OD2' ' A' ' 102' ' ' ASP . 9.4 m-85 -111.24 149.28 31.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -114.31 138.98 49.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.3 t -106.64 100.87 10.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -95.56 136.44 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.0 t -123.48 150.31 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.42 ' CD1' ' HE3' ' A' ' 58' ' ' MET . 52.1 m-85 -148.6 133.02 17.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.44 ' CE3' HG22 ' A' ' 96' ' ' THR . 35.5 t-105 -82.57 111.18 18.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 87.9 m -83.34 158.4 22.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 15.6 mt-10 -148.46 127.96 6.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.646 0.736 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.6 Cg_endo -69.8 -49.99 0.21 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.376 0.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.99 -175.76 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -105.97 47.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.462 ' O ' ' CB ' ' A' ' 124' ' ' GLU . . . -85.91 -46.3 10.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -75.94 -40.85 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.97 -66.2 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.6 m -58.74 -11.88 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 120' ' ' ALA . 17.1 tt0 -88.09 -35.76 17.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.73 -35.56 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 127' ' ' GLN . 7.1 p -70.41 -52.22 31.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 128' ' ' ALA . 5.6 pt20 -50.14 -45.17 52.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.452 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . -72.17 -33.15 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.65 -20.77 61.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 85.2 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 49.2 t60 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 73.7 mt -71.41 -28.54 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 35.3 m -76.24 -58.34 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . 0.537 ' CG ' ' N ' ' A' ' 167' ' ' MET . 5.9 ptmt -39.68 -49.84 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' MET . . . . . 0.537 ' N ' ' CG ' ' A' ' 166' ' ' LYS . 0.0 OUTLIER -50.39 -43.54 54.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -82.44 -15.52 52.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -80.18 -72.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -119.83 -31.23 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 99.65 -145.32 17.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -150.68 109.33 3.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.37 . . . . 0.0 110.944 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -90.21 105.48 17.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 12.6 t-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.447 HG21 ' N ' ' A' ' 16' ' ' GLN . 7.2 p . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.835 0.35 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.447 ' N ' HG21 ' A' ' 15' ' ' VAL . 36.0 mt-30 -104.93 117.34 33.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.4 146.96 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -134.33 134.53 41.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -78.19 111.08 13.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.0 m -142.73 179.82 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -118.23 166.54 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -116.12 107.75 15.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.466 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 5.5 mp -73.63 -42.37 61.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.417 ' C ' HD12 ' A' ' 44' ' ' LEU . . . 149.48 179.68 25.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.6 ' SD ' ' CE1' ' A' ' 111' ' ' HIS . 2.9 tpt -105.62 133.83 49.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.9 116.17 4.12 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.626 0.727 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 159.46 53.31 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.373 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.5 m -126.25 158.72 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -84.62 -38.05 20.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -115.45 143.01 29.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -17.29 37.69 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.8 m -139.47 162.5 26.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.68 102.75 2.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.4 mmt -48.27 -44.56 33.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -49.99 -37.91 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.1 m -82.87 -42.45 17.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.17 -44.04 78.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.1 m-80 -70.01 -48.78 56.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -41.04 -27.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 38' ' ' ASN . . . -83.15 -42.32 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' ASN . 71.3 mt -53.66 -54.85 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -55.92 -50.92 69.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -37.54 -55.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 47' ' ' SER . 13.5 mt -70.94 -51.41 26.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.428 ' HE1' ' CD2' ' A' ' 23' ' ' LEU . 7.9 mmt -36.62 -55.88 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.6 p -59.71 -35.96 75.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' LEU . 7.7 t -62.78 -65.44 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 m -106.38 143.2 34.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.1 m -79.97 161.72 25.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -47.77 -42.02 24.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.66 -35.94 62.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -54.27 -37.2 64.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.466 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 4.6 m0 -61.63 119.43 47.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 132.54 23.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.9 m -66.06 120.38 13.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.1 m -127.0 166.08 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -110.01 121.8 46.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.4 ttm -89.23 102.97 15.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.46 ' ND2' HD13 ' A' ' 68' ' ' ILE . 4.2 m-80 -90.91 110.18 21.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.5 t -104.14 101.33 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -95.4 175.95 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -47.0 102.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 56.17 43.52 26.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' ALA . 37.6 m -161.52 138.31 8.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.7 t -128.59 96.51 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.459 ' CG2' HG21 ' A' ' 76' ' ' VAL . 18.0 m -96.79 135.62 38.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.0 t -97.59 110.77 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.46 HD13 ' ND2' ' A' ' 59' ' ' ASN . 96.4 mt -109.5 147.5 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -83.11 160.62 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -39.84 65.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -54.15 -62.19 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -114.45 171.32 7.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -97.89 -44.84 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.52 -37.17 86.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -43.14 100.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.459 HG21 ' CG2' ' A' ' 66' ' ' THR . 5.7 p -106.85 88.13 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.092 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.02 -52.16 64.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.571 HG13 ' CE1' ' A' ' 111' ' ' HIS . 59.2 t -138.99 140.34 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.451 ' N ' HG12 ' A' ' 78' ' ' VAL . 28.6 tt0 -119.19 96.99 5.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.467 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 46.8 t -103.57 148.23 26.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 82' ' ' VAL . 19.6 ttt180 -127.38 121.28 30.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' ARG . 95.5 t -33.6 -61.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -41.82 -46.65 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' ARG . 11.5 m-85 -66.33 -43.09 87.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.4 ' C ' HD22 ' A' ' 85' ' ' LEU . 3.0 tt -40.97 112.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.2 p -78.23 -39.84 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 172' ' ' TYR . 49.8 t80 -165.95 131.26 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 21.7 ptp -114.93 154.15 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.25 165.45 38.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.431 ' CG1' ' HA ' ' A' ' 94' ' ' VAL . 84.1 t -108.89 146.41 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.47 -174.48 38.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -42.9 -47.49 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -94.34 117.02 29.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.431 ' HA ' ' CG1' ' A' ' 90' ' ' VAL . 3.9 m -46.81 -40.85 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.416 ' N ' ' CG2' ' A' ' 94' ' ' VAL . 16.7 m80 -43.01 -37.84 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 27.5 p -75.41 159.45 31.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -158.35 114.75 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.04 153.32 48.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.467 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 42.6 p90 -138.05 140.73 40.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.3 mt -96.16 111.26 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.476 ' CE ' HG21 ' A' ' 103' ' ' THR . 0.6 OUTLIER -111.74 167.36 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -119.85 105.14 10.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.948 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.476 HG21 ' CE ' ' A' ' 101' ' ' MET . 17.2 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.79 0.328 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -109.02 141.53 41.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -109.7 145.57 36.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.8 t -120.38 112.57 19.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.6 ' CE1' ' SD ' ' A' ' 25' ' ' MET . 88.4 m-70 -95.57 128.14 42.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.6 t -108.48 136.46 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.442 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 55.7 m-85 -142.29 125.11 16.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -76.21 127.47 32.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 68.0 m -104.98 143.75 32.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 13.2 mp0 -129.48 131.37 23.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.681 0.753 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.6 Cg_endo -69.76 -47.87 0.29 Allowed 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.325 -0.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.24 -178.95 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -96.17 44.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 124' ' ' GLU . . . -81.56 -49.94 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -72.94 -56.35 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.7 t -49.01 -56.94 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 t -62.92 -38.6 91.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 120' ' ' ALA . 21.5 tt0 -63.57 -32.07 73.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.3 -58.0 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.33 -44.01 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -60.89 -45.77 93.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.76 -48.81 73.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.29 -42.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 91.3 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.917 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 3.7 t60 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.837 0.351 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 10.5 mt -40.86 -39.41 1.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 6.1 m -65.66 -47.78 74.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -59.05 -27.85 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 96.9 mmm -72.09 -53.35 13.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -70.97 -23.79 62.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -72.8 -66.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -113.77 -30.93 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 79.72 -159.1 43.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . 0.537 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 69.4 t80 -136.55 144.64 44.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -118.03 122.63 43.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 24.6 t30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.653 0.74 . . . . 0.0 110.853 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 16' ' ' GLN . 7.3 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.749 0.309 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' N ' HG22 ' A' ' 15' ' ' VAL . 38.0 mt-30 -116.97 121.68 42.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -90.92 143.92 26.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -135.38 129.96 34.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -74.07 120.82 20.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -152.36 -178.6 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -121.04 155.23 34.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -106.7 118.17 35.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.519 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 6.3 mp -82.76 -43.23 17.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.19 -176.13 30.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.7 ttp -111.41 134.74 52.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.13 116.83 8.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.649 0.737 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 151.08 69.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.5 m -121.82 168.27 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.82 -39.91 8.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -110.13 144.03 29.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.657 0.742 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.523 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.79 -25.22 28.7 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.4 m -135.34 150.92 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.77 98.03 0.78 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.6 mmt -44.27 -45.58 8.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.89 -42.66 48.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.1 m -73.11 -42.0 63.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.183 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tt -59.33 -45.94 89.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -63.11 -39.7 95.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 t -57.77 -17.34 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.23 -33.53 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.125 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.06 -55.41 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 44' ' ' LEU . 38.4 mt-10 -57.9 -57.25 13.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLU . 39.0 m-20 -36.23 -29.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 42' ' ' GLU . 50.3 mt -90.26 -40.51 12.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 42' ' ' GLU . 4.0 mtt -63.88 -43.98 94.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 t -61.09 -27.28 68.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.9 p -86.3 -63.22 1.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.9 m -97.37 147.61 24.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.51 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 3.0 m -92.03 170.02 10.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.509 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 30.7 tttt -55.03 -41.9 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -71.94 -31.93 66.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.25 -28.03 68.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.519 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 2.0 m0 -76.39 114.18 35.75 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.544 0.688 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.95 20.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 m -95.25 125.0 39.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.0 m -133.67 156.96 42.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -98.55 120.01 38.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.6 ttm -87.61 105.58 17.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -89.94 97.5 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.7 t -97.0 99.1 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.15 -179.78 6.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -49.3 -63.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -123.56 36.36 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 m -154.36 151.14 28.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 83.4 t -134.44 98.81 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.45 ' CG2' HG13 ' A' ' 76' ' ' VAL . 12.0 m -102.97 147.72 26.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.435 ' N ' HG23 ' A' ' 66' ' ' THR . 54.7 t -112.33 117.13 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.416 ' CG2' ' HA ' ' A' ' 73' ' ' GLU . 93.6 mt -111.77 127.94 68.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -66.85 126.5 29.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -43.8 -28.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -55.51 -62.62 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -131.33 163.16 28.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.416 ' HA ' ' CG2' ' A' ' 68' ' ' ILE . 30.0 tt0 -85.01 -27.09 26.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.84 -4.29 58.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -87.43 96.73 10.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.45 HG13 ' CG2' ' A' ' 66' ' ' THR . 81.7 t -95.99 95.9 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.54 -39.93 92.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 79' ' ' GLU . 99.4 t -150.54 144.9 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.447 ' N ' HG12 ' A' ' 78' ' ' VAL . 23.2 tt0 -124.54 100.64 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.8 t -107.01 148.11 29.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' PHE . 17.5 mtp85 -128.64 120.99 27.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.437 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 98.9 t -38.15 -38.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -63.9 -43.53 95.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 81' ' ' ARG . 34.5 m-85 -72.67 -37.23 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.445 ' O ' ' CG ' ' A' ' 174' ' ' ASN . 1.3 tt -42.58 137.94 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.7 p -105.22 -44.5 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -160.18 145.1 14.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.5 ptp -135.83 146.87 47.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -163.14 -178.0 36.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.436 HG11 ' N ' ' A' ' 91' ' ' GLY . 76.4 t -119.9 140.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.436 ' N ' HG11 ' A' ' 90' ' ' VAL . . . -74.48 -179.63 41.86 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -41.62 -46.12 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.747 0.308 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -92.17 123.47 35.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.2 m -60.81 -19.66 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -66.66 -19.52 65.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.1 p -99.09 160.82 13.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -154.13 116.06 4.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -122.83 157.22 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 5.1 p90 -153.19 138.54 17.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.3 mt -96.76 118.56 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.5 ptm -108.3 159.38 16.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -99.42 117.63 34.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.0 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.924 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 107' ' ' ARG . 6.0 ptm180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.86 0.362 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 6.4 m-85 -120.14 142.38 48.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -109.86 131.91 54.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 32.7 t -107.62 111.07 23.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.494 ' HB3' ' CE1' ' A' ' 113' ' ' PHE . 93.5 m-70 -91.8 134.27 34.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.825 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' A' ' 44' ' ' LEU . 7.8 t -111.59 134.92 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.494 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 41.3 m-85 -137.11 133.93 35.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -85.94 120.42 27.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 66.2 m -101.9 155.21 18.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.499 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.1 mm-40 -140.99 131.68 13.42 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.672 0.749 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.4 Cg_endo -69.76 -45.94 0.39 Allowed 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.361 -0.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.34 178.08 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.51 46.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.27 -64.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -58.84 -50.55 73.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.2 t -54.29 -55.64 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.3 p -60.45 -40.13 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -61.59 -41.47 97.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.0 -54.08 39.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 127' ' ' GLN . 6.3 p -60.54 -47.32 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.419 ' N ' HG12 ' A' ' 126' ' ' VAL . 22.9 tt0 -51.38 -59.84 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.09 -41.51 75.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.85 -38.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 69.0 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.927 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 10.9 t60 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.849 0.357 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.34 -38.09 79.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 89.3 p -64.37 -58.42 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -38.82 -40.25 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.9 mtp -67.96 -49.95 58.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.25 -16.83 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -83.0 -73.32 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -105.3 -48.05 3.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 90.8 176.12 44.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.541 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -104.13 122.61 45.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -100.64 94.46 6.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 6.8 t-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.631 0.729 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.754 0.312 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -109.04 135.34 50.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.78 146.07 41.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -132.85 142.94 49.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.405 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -78.84 122.25 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 19' ' ' ARG . 5.7 m -157.25 178.52 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -119.66 162.67 18.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -114.62 115.36 27.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.513 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 4.4 mp -85.61 -32.11 22.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.63 -168.59 25.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -122.33 137.47 54.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.758 0.313 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.28 116.66 9.48 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.579 0.704 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 150.28 67.83 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.632 2.221 . . . . 0.0 112.296 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.4 m -123.37 159.06 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -91.38 -37.92 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -110.88 144.06 29.55 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.738 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.524 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.74 -30.6 22.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.2 m -122.01 -177.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.9 106.24 2.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.414 ' CE ' ' HA3' ' A' ' 89' ' ' GLY . 4.6 mmt -57.16 -29.1 63.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.308 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.14 -23.66 64.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.1 m -88.3 -49.65 6.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.153 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.63 -52.23 66.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -58.88 -26.54 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 t -69.56 -27.47 65.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.16 -26.12 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 59.4 mt -66.63 -57.25 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 44' ' ' LEU . 14.1 mt-10 -57.68 -54.12 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' GLU . 61.1 m-20 -36.35 -34.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' GLU . 32.3 mt -87.14 -53.41 4.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 48' ' ' SER . 6.1 mtt -47.81 -45.26 29.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.7 t -63.98 -26.8 68.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.7 t -81.67 -63.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' MET . 4.6 m -97.83 157.6 15.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.54 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.5 m -97.2 173.2 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 23.6 tttm -62.32 -48.66 78.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.65 -21.79 61.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -73.59 -21.68 60.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.553 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 18.9 m0 -73.71 118.37 68.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.696 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 135.32 30.2 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.1 p -64.39 127.68 32.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.6 m -138.46 150.09 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.85 119.62 36.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.54 ' HE2' ' CD1' ' A' ' 113' ' ' PHE . 21.3 tpp -82.9 114.03 20.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -100.6 123.84 45.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.1 t -122.59 98.99 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -95.69 -178.39 4.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -49.99 110.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 48.16 39.98 12.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 61' ' ' ALA . 33.6 m -157.99 139.47 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.0 t -131.15 102.25 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -103.27 141.16 36.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.414 HG21 ' CE2' ' A' ' 113' ' ' PHE . 45.6 t -103.1 110.49 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.417 ' CG2' ' O ' ' A' ' 73' ' ' GLU . 83.6 mt -106.15 142.54 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 75' ' ' GLU . 13.2 t -73.91 157.11 36.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -80.06 -38.87 30.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -69.42 -40.41 77.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.428 ' HB3' ' CB ' ' A' ' 75' ' ' GLU . 50.8 t-20 -124.44 145.09 49.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.417 ' O ' ' CG2' ' A' ' 68' ' ' ILE . 32.4 mt-10 -83.08 -68.47 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.67 -24.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' CB ' ' HB3' ' A' ' 72' ' ' ASN . 61.1 tt0 -57.59 97.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.8 p -95.52 86.82 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.0 mt -50.07 -54.08 22.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 79' ' ' GLU . 78.2 t -140.12 157.17 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.443 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 41.6 tt0 -133.65 99.77 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.475 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 43.0 t -109.99 148.04 32.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' VAL . 16.2 mtp85 -125.01 121.41 34.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' ARG . 96.6 t -36.14 -57.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -47.89 -46.1 31.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -65.62 -35.29 80.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 tt -45.74 129.7 9.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.7 p -98.71 -40.01 8.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -160.22 134.02 7.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 9.9 ptp -126.96 138.82 53.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.414 ' HA3' ' CE ' ' A' ' 34' ' ' MET . . . -150.32 -173.5 20.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.1 t -127.9 128.41 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.96 175.78 0.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -53.55 -17.53 2.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -110.25 131.3 55.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.6 m -64.07 -14.59 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -83.31 -5.94 59.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 76.7 p -109.75 148.82 30.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -153.79 112.99 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -120.56 161.36 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.475 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 8.7 p90 -149.0 140.92 23.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mt -102.33 114.66 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.0 ptm -105.74 160.57 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.51 116.01 28.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.7 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.868 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.524 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 5.4 m-85 -124.73 142.55 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -108.5 152.85 24.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 15.2 t -128.74 120.9 27.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 96.6 m-70 -102.62 135.84 43.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.2 t -111.73 137.05 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.54 ' CD1' ' HE2' ' A' ' 58' ' ' MET . 21.8 m-85 -140.15 128.74 22.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 38.4 t-105 -84.5 114.22 21.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 97.5 m -86.66 165.49 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.469 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 22.1 mt-10 -150.79 126.72 5.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.634 0.731 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.4 Cg_endo -69.79 -48.88 0.25 Allowed 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.38 -0.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.53 -176.91 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -100.12 43.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.43 -61.88 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -62.71 -44.22 96.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 83.6 t -57.8 -48.4 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.0 t -75.79 -12.08 60.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.48 -38.42 20.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.8 -41.67 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.4 p -71.11 -41.82 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -58.3 -57.57 12.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.3 -32.42 73.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -51.75 -43.11 62.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 93.6 m . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 14.8 t60 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.805 0.336 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.2 mp -40.75 -43.86 2.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 2.3 m -48.38 -42.51 31.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -65.83 -38.44 88.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 41.1 mmm -62.68 -35.6 80.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -87.24 -16.28 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -76.94 -72.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -110.15 -30.61 7.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 86.88 -169.44 40.5 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -131.96 123.9 28.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.883 0.373 . . . . 0.0 110.901 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -106.8 105.51 15.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 28.7 t30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.655 0.741 . . . . 0.0 110.864 -179.881 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.806 0.336 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -102.86 134.12 46.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.9 142.1 34.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -122.31 155.48 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -92.57 111.21 22.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 m -147.63 178.12 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -119.11 155.43 31.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -105.51 116.85 32.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.548 HD21 ' CZ2' ' A' ' 53' ' ' TRP . 6.0 mp -85.07 -36.13 21.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.54 -169.38 25.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.8 ttp -120.38 138.85 53.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.3 118.04 8.24 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.597 0.713 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 148.74 66.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.262 . . . . 0.0 112.383 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.5 m -121.16 -177.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.64 -43.71 3.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -99.03 141.55 23.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -17.07 37.83 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.423 HG11 ' CG ' ' A' ' 173' ' ' GLU . 16.4 m -143.51 176.3 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.98 106.93 3.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.82 -34.04 51.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -63.61 -32.41 73.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.8 m -79.66 -45.56 18.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 tt -61.04 -47.65 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -61.16 -34.6 75.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.411 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 5.0 t -63.26 -17.23 62.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.73 -24.49 19.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.8 mt -71.32 -57.56 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -56.54 -46.13 80.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 39' ' ' SER . 62.5 m-20 -41.04 -45.4 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 47' ' ' SER . 10.8 mt -80.28 -57.57 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.465 ' HG2' ' CD2' ' A' ' 23' ' ' LEU . 4.8 mtt -39.87 -31.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.5 p -77.09 -43.01 35.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' LEU . 72.8 m -61.98 -57.56 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.1 m -106.54 158.24 17.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.449 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 12.8 m -96.11 177.4 5.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.557 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 18.9 tptp -62.71 -39.84 95.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.21 -26.21 55.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -69.94 -20.2 63.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.557 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 14.1 m0 -78.84 114.64 45.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.515 0.674 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 149.15 66.02 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.232 . . . . 0.0 112.31 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -78.94 127.95 32.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.1 m -135.57 155.66 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -98.01 116.01 29.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.5 ' HE1' ' CD1' ' A' ' 113' ' ' PHE . 24.2 tpp -84.17 114.9 22.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -98.8 115.89 29.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.1 t -113.15 100.48 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.13 -175.14 4.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -50.64 -61.87 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.86 32.24 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.7 m -149.17 156.14 41.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 86.0 t -136.79 114.78 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 m -114.54 147.89 38.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.8 t -109.12 109.93 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.0 mt -106.36 136.71 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.5 t -63.65 144.44 57.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.419 ' C ' ' CD ' ' A' ' 70' ' ' GLU . 5.7 tm-20 -60.18 -39.13 85.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -72.13 -73.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -75.14 168.63 19.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 13.9 pt-20 -113.32 -37.61 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 9.1 pm0 -88.95 7.89 32.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -87.08 89.19 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 p -79.84 95.5 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.1 mt -62.44 -40.5 96.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 79' ' ' GLU . 35.0 t -153.33 152.51 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.4 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.0 tt0 -132.08 104.5 6.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.6 t -114.23 135.23 54.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.509 ' HB2' ' CD2' ' A' ' 84' ' ' PHE . 6.2 mpt_? -115.63 138.28 51.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.8 t -44.17 -37.33 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -65.01 -35.3 80.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.509 ' CD2' ' HB2' ' A' ' 81' ' ' ARG . 16.6 m-85 -84.26 -16.64 42.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.485 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 3.3 tt -67.67 101.9 1.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.3 t -70.21 -59.08 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -154.31 132.21 11.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.1 ptp -111.2 167.14 10.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.37 -175.56 46.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 91' ' ' GLY . 64.5 t -131.53 144.32 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.106 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.441 ' N ' HG13 ' A' ' 90' ' ' VAL . . . -67.5 -171.51 5.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -14.37 19.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.36 154.61 29.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.4 m -87.6 -6.48 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 32.6 m80 -87.69 7.34 30.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.0 p -123.9 162.47 23.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -155.6 114.2 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.05 133.49 51.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.07 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -129.01 144.03 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.4 mt -99.01 127.44 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 28.2 ptm -126.5 167.26 15.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -115.61 112.82 22.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 -179.869 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.823 0.344 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -98.27 147.96 24.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -106.91 125.78 51.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.8 t -106.89 109.39 21.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -96.16 138.27 34.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.6 t -115.24 144.04 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.5 ' CD1' ' HE1' ' A' ' 58' ' ' MET . 73.5 m-85 -140.93 131.26 25.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.482 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 33.7 t-105 -89.17 121.57 31.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 66.3 m -96.38 175.09 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.473 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 49.2 mt-10 -159.17 126.49 2.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.524 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 53.4 Cg_endo -69.73 -50.3 0.19 OUTLIER 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.345 -0.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.36 177.59 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.67 31.58 2.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.12 -72.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -46.72 -43.27 17.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.76 -65.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.0 m -59.74 -19.83 52.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.97 -36.13 62.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.7 -49.69 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 127' ' ' GLN . 3.2 p -62.81 -41.42 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.419 ' N ' HG13 ' A' ' 126' ' ' VAL . 2.9 tp-100 -50.81 -50.77 55.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.39 -28.59 59.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.28 -45.13 23.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 78.7 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 164' ' ' LEU . 27.4 t60 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.771 0.32 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 163' ' ' HIS . 10.3 mt -36.06 -44.16 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 3.9 m -70.09 -50.32 42.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -48.06 -26.6 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' MET . . . . . 0.419 ' SD ' ' CE1' ' A' ' 163' ' ' HIS . 77.8 mmm -74.8 -51.17 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -79.89 -7.96 59.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -82.28 -63.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -125.8 -26.53 3.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 83.74 -172.98 50.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . 0.407 ' CD2' ' OE1' ' A' ' 127' ' ' GLN . 7.2 t80 -121.37 91.23 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.386 . . . . 0.0 110.939 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . 0.423 ' CG ' HG11 ' A' ' 32' ' ' VAL . 1.6 tm-20 -69.59 115.37 8.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 85' ' ' LEU . 35.7 t30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.567 0.699 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.773 0.321 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.563 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 1.7 pt20 -97.15 134.93 39.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -113.33 139.26 49.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 16' ' ' GLN . 83.3 m-85 -121.38 156.01 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -97.05 108.22 20.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 m -144.22 172.71 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -108.02 158.11 17.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -109.84 106.25 15.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 4.9 mp -73.0 -37.05 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.12 -174.38 23.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.7 ttp -108.2 140.18 41.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.468 ' CD1' ' O ' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -147.01 117.67 4.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.468 ' O ' ' CD1' ' A' ' 26' ' ' LEU . 54.1 Cg_endo -69.72 146.74 61.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -110.3 156.61 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -80.6 -34.93 34.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -129.06 150.75 76.22 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.624 0.726 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.544 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.77 -15.38 37.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.8 m -142.91 153.74 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.68 95.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -43.14 -41.39 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -56.17 -42.21 76.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.5 m -72.72 -43.33 63.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tt -55.48 -43.96 76.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -70.5 -41.77 72.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.0 t -54.1 -18.26 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.96 -39.29 13.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.1 mt -52.59 -54.55 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -57.07 -50.78 71.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -39.99 -34.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.9 mt -90.74 -54.55 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.4 mtt -43.65 -44.86 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.4 p -70.18 -47.1 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.142 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.9 t -44.65 -68.42 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -105.84 176.51 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 p -93.34 165.31 12.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -66.45 -17.82 65.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -93.88 -21.36 19.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.427 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -69.0 -32.4 71.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.463 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 4.5 m0 -61.8 113.55 8.71 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.544 0.687 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 131.18 20.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.622 2.215 . . . . 0.0 112.299 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.408 ' C ' HG11 ' A' ' 56' ' ' VAL . 74.7 p -64.78 128.47 35.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.408 HG11 ' C ' ' A' ' 55' ' ' SER . 20.9 m -138.93 164.52 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -99.35 123.72 43.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.5 ttm -89.5 106.22 18.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 66' ' ' THR . 2.8 m-80 -86.67 119.16 26.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -122.01 99.02 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -81.36 -175.77 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -49.92 -59.89 3.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.91 39.53 3.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 61' ' ' ALA . 83.5 m -156.55 151.52 26.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 84.0 t -134.8 100.3 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' ASN . 9.1 m -100.56 148.86 24.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.183 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 t -112.69 108.27 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 94.4 mt -106.61 146.14 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -79.11 160.81 26.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -75.48 -38.35 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -54.64 -58.46 7.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -118.57 174.49 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -104.0 -40.38 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -63.86 -33.42 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -50.1 112.79 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 p -114.07 80.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 mt -48.29 -63.19 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.504 HG23 ' CE1' ' A' ' 111' ' ' HIS . 61.9 t -127.01 138.48 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.444 ' N ' HG11 ' A' ' 78' ' ' VAL . 25.4 tt0 -122.61 94.96 4.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.411 ' SG ' ' CB ' ' A' ' 101' ' ' MET . 29.6 t -106.13 147.58 28.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' PHE . 45.7 mtt180 -123.09 126.92 47.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' ARG . 87.7 t -33.88 -47.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -54.06 -46.77 72.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 81' ' ' ARG . 11.7 m-85 -71.66 -20.17 61.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 174' ' ' ASN . 2.3 tt -57.6 113.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.1 t -81.6 -61.11 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -150.46 130.41 13.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.2 ptp -119.03 151.45 38.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.56 173.88 43.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 91' ' ' GLY . 72.1 t -112.23 143.89 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.43 ' N ' HG13 ' A' ' 90' ' ' VAL . . . -74.86 -165.34 13.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -50.16 -46.49 54.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.753 0.311 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -93.32 134.71 35.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.2 m -66.05 -12.71 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 2.6 m80 -75.22 -23.77 57.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 77.2 p -85.92 156.47 20.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -149.41 113.74 5.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -125.87 142.58 51.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -138.91 141.37 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.9 mt -101.14 115.48 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.411 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER -107.42 158.3 17.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -93.63 104.65 16.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.7 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.854 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 6.7 m-85 -128.05 149.6 50.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -115.44 139.34 50.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 48.6 t -114.79 115.87 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.504 ' CE1' HG23 ' A' ' 78' ' ' VAL . 95.4 m-70 -100.16 127.1 46.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 46.1 t -106.79 144.84 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.47 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 51.1 m-85 -145.91 136.75 24.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -87.4 112.93 22.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 52.4 m -86.06 166.25 16.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 30.7 mt-10 -153.51 129.47 5.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.661 0.743 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.541 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 54.1 Cg_endo -69.76 -49.23 0.24 Allowed 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.354 0.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.98 179.42 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.17 45.57 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.58 -49.91 6.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -72.93 -36.22 67.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 94.3 t -69.41 -56.69 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.2 m -60.63 -33.61 73.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.13 -46.77 73.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.25 66.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.12 -46.7 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -55.22 -56.81 15.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 129' ' ' ALA . . . -61.74 -45.21 94.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 128' ' ' ALA . . . -34.8 -43.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 72.7 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.936 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 18.7 t60 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 26.9 mt -48.04 -53.8 15.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 36.3 m -51.46 -48.48 62.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -54.64 -44.49 73.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 54.2 mmm -56.35 -35.18 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -83.21 -26.89 30.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -68.54 -72.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -109.73 -44.64 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 98.65 -149.06 19.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -138.77 124.46 19.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.903 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -108.18 118.7 37.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 17.8 t30 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.808 0.337 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 18' ' ' PHE . 1.4 tt0 -102.88 137.89 40.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -119.06 131.64 55.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.566 ' CZ ' ' HG2' ' A' ' 16' ' ' GLN . 16.4 m-85 -108.41 161.21 15.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -96.24 110.06 22.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.5 m -145.81 173.52 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -107.34 166.36 10.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -117.22 116.28 26.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -81.97 -43.05 18.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.67 -167.54 29.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.0 ttp -116.8 141.19 48.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -145.33 117.12 5.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.915 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.411 ' N ' HD13 ' A' ' 26' ' ' LEU . 54.1 Cg_endo -69.77 138.33 37.55 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.3 m -109.09 147.44 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -78.32 -38.06 43.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -113.74 144.46 31.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.588 0.708 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -24.68 29.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.0 m -133.9 172.93 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.72 100.17 2.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.434 ' HA ' ' CE ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -45.72 -40.37 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.755 0.312 . . . . 0.0 110.851 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -54.66 -35.26 63.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.9 m -78.64 -45.17 22.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 tt -56.94 -50.05 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 34' ' ' MET . 75.1 m-20 -58.65 -42.58 88.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 t -56.0 -15.61 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.68 -38.07 12.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.8 mt -59.67 -61.83 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -51.33 -45.84 62.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -43.98 -42.61 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.8 mt -82.17 -49.2 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 mtt -47.07 -31.83 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.3 p -79.0 -47.06 16.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.7 t -53.2 -55.63 22.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.7 m -111.52 164.54 12.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.1 m -96.75 166.25 11.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 30.7 tttm -56.5 -44.09 80.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.954 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.76 -24.66 60.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.31 -27.26 67.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.465 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 8.5 m0 -70.12 113.73 20.02 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.544 0.687 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 135.66 31.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.4 m -71.19 125.95 28.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.3 m -135.71 172.23 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -103.83 123.69 47.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.485 ' HE3' ' CD1' ' A' ' 113' ' ' PHE . 15.6 tpp -94.1 107.7 19.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -94.38 127.65 40.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.0 t -127.99 98.43 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -75.93 -178.47 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -43.7 -59.93 2.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.15 33.33 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ALA . 27.7 m -145.71 150.39 36.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 86.4 t -134.73 99.95 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -101.82 141.99 33.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.2 t -108.91 103.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 69' ' ' SER . 70.9 mt -101.94 150.38 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.455 ' N ' HG21 ' A' ' 68' ' ' ILE . 2.7 t -76.21 169.76 17.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -86.31 -43.66 12.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -60.97 -52.98 62.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -105.7 168.16 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -114.48 -35.13 5.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -77.45 -12.25 59.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -69.64 118.0 11.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.1 t -104.45 79.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.3 mt -45.84 -64.62 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.43 HG23 ' CE1' ' A' ' 111' ' ' HIS . 85.8 t -136.26 126.79 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -104.31 101.6 11.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.7 t -113.08 144.96 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -119.66 136.3 54.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.488 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 20.3 t -62.03 -20.29 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -75.21 -21.75 58.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 85' ' ' LEU . 30.6 m-85 -97.39 -39.92 8.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 84' ' ' PHE . 2.4 tt -37.27 114.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.9 p -82.76 -45.67 14.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -156.25 149.08 23.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 14.8 ptp -134.73 158.32 44.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.22 -176.35 39.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.537 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 91' ' ' GLY . 59.4 t -128.07 141.04 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 111.163 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -68.14 -180.0 18.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.12 -31.43 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -104.46 118.21 36.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.4 m -51.68 -29.29 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -55.74 -33.57 64.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.8 p -81.76 162.35 22.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -158.41 113.17 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.57 148.1 49.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -137.6 148.53 45.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.3 mt -103.7 124.59 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 16.7 ptm -121.04 164.19 17.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 102' ' ' ASP . 0.4 OUTLIER -109.27 111.35 22.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.897 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.882 0.373 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -125.47 144.45 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -108.65 138.44 44.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.3 t -121.22 116.81 25.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.43 ' CE1' HG23 ' A' ' 78' ' ' VAL . 94.3 m-70 -94.8 148.5 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.7 t -124.66 135.89 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.485 ' CD1' ' HE3' ' A' ' 58' ' ' MET . 27.6 m-85 -139.38 136.03 34.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -85.51 112.86 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 83.9 m -84.15 159.67 21.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.489 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 52.9 mt-10 -145.81 128.63 8.12 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.601 0.715 . . . . 0.0 110.852 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 54.1 Cg_endo -69.75 -45.66 0.41 Allowed 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.325 -0.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -127.92 -179.23 4.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.99 51.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.074 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.01 -61.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -69.93 -57.67 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.9 t -42.23 -57.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.4 m -65.21 -25.0 67.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -76.3 -31.39 58.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.83 -43.98 28.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.0 p -65.02 -50.11 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.482 ' OE1' ' CE1' ' A' ' 163' ' ' HIS . 8.3 pt20 -61.79 -39.57 92.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.78 -38.93 76.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -50.33 -38.77 43.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.421 ' SG ' ' CG1' ' A' ' 82' ' ' VAL . 84.1 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . 0.482 ' CE1' ' OE1' ' A' ' 127' ' ' GLN . 3.0 t60 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.83 0.348 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 89.7 mt -42.5 -43.54 3.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 168' ' ' GLN . 11.4 m -62.14 -64.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 165' ' ' SER . 29.4 mtpt -38.3 -39.04 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 15.8 mmm -65.7 -41.52 92.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 165' ' ' SER . 44.6 mt-30 -78.6 -21.97 47.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -76.38 -75.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . 0.44 HD21 ' N ' ' A' ' 171' ' ' GLY . 0.2 OUTLIER -104.96 -32.0 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . 0.44 ' N ' HD21 ' A' ' 170' ' ' ASN . . . 90.76 -149.96 20.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -144.18 120.16 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.929 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -100.16 115.63 30.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 50.4 t30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.628 0.728 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -119.87 124.48 46.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -97.34 149.79 21.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -133.28 139.37 46.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -79.91 110.59 15.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -143.31 -176.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -117.35 165.07 13.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -113.59 117.3 31.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.445 HD21 ' CH2' ' A' ' 53' ' ' TRP . 5.5 mp -83.55 -43.18 15.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.09 -178.55 26.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.406 ' N ' HD22 ' A' ' 44' ' ' LEU . 16.1 ttp -116.74 125.24 51.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.83 117.42 19.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 140.14 41.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 m -110.3 -176.79 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.6 -42.16 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 -103.94 143.02 25.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.59 0.71 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -23.64 30.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.318 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.38 169.48 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.21 104.79 2.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.5 mmt -51.56 -41.55 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.59 -29.5 11.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.9 m -88.61 -45.53 9.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.29 -52.24 66.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -59.0 -45.16 91.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.474 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 32.1 t -52.18 -20.06 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.55 -34.07 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.6 mt -62.28 -56.49 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -52.25 -45.95 65.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 39' ' ' SER . 18.4 m-20 -44.26 -49.22 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 47' ' ' SER . 9.5 mt -76.05 -53.99 7.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.1 mtt -41.89 -43.8 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.8 p -73.06 -30.82 63.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' LEU . 2.8 t -68.54 -64.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.0 m -101.62 157.76 16.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.6 m -94.53 161.29 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 23.1 tttt -48.55 -45.44 37.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.9 -38.32 73.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -54.06 -35.71 62.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.445 ' CH2' HD21 ' A' ' 23' ' ' LEU . 11.3 m0 -62.19 113.39 8.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.499 0.666 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.54 40.48 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.734 2.289 . . . . 0.0 112.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.1 m -73.13 124.01 24.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.4 m -132.98 167.72 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -104.26 120.58 41.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 44.4 ttm -90.15 98.54 11.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -84.55 109.84 18.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.7 t -109.81 98.64 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -76.83 -176.99 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 129' ' ' ALA . 12.5 t70 -49.89 -60.96 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.64 37.21 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' ALA . 93.2 m -155.44 150.38 26.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.1 t -133.81 103.25 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 m -105.6 143.43 33.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.95 118.29 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.5 mt -112.54 147.54 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.7 t -81.59 118.83 23.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -38.71 -35.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -70.39 -65.55 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.443 ' HB3' ' CB ' ' A' ' 75' ' ' GLU . 49.2 t-20 -98.94 132.79 44.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -38.93 35.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -78.8 -0.48 30.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.443 ' CB ' ' HB3' ' A' ' 72' ' ' ASN . 19.2 tt0 -85.46 107.26 17.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.2 t -99.26 96.21 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 66.0 mt -62.84 -43.56 98.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.534 HG13 ' CE1' ' A' ' 111' ' ' HIS . 95.8 t -152.12 129.88 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.065 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -108.63 95.81 5.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 t -101.76 148.11 25.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 82' ' ' VAL . 0.4 OUTLIER -131.13 119.81 22.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.852 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 81' ' ' ARG . 58.9 t -34.15 -59.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -39.42 -49.78 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 85' ' ' LEU . 14.8 m-85 -70.01 -39.94 75.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 84' ' ' PHE . 2.2 tt -37.72 116.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.7 p -81.83 -58.93 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -151.01 130.54 12.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.6 ptp -120.35 148.73 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.66 -170.4 29.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 91' ' ' GLY . 79.5 t -128.56 143.75 40.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.448 ' N ' HG13 ' A' ' 90' ' ' VAL . . . -72.11 -171.39 16.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -50.44 -43.5 55.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.4 122.58 38.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.1 m -55.19 -26.76 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -58.31 -23.31 56.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.4 p -95.2 158.86 15.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -155.72 114.25 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.44 148.25 49.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.463 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 5.7 p90 -139.18 142.89 37.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.6 mt -100.65 125.82 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.3 ptm -123.05 168.93 11.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -105.99 113.1 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.5 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.918 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.5 ptt85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.832 0.349 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -119.45 139.63 51.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -106.4 137.21 44.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.9 t -112.28 110.78 21.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.534 ' CE1' HG13 ' A' ' 78' ' ' VAL . 39.0 m-70 -93.92 134.04 36.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.2 t -113.29 142.07 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -144.03 130.48 19.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -80.24 124.26 28.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 90.9 m -99.44 159.4 15.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.457 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 30.0 mt-10 -146.65 126.21 6.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.667 0.746 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.3 Cg_endo -69.71 -48.02 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.753 -1.769 . . . . 0.0 112.341 -0.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.94 179.14 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.96 46.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.5 -57.05 3.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -66.67 -36.04 81.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.4 t -66.6 -44.33 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.8 p -77.94 -21.96 50.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -79.42 -42.73 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.89 -48.32 71.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 127' ' ' GLN . 11.0 p -65.71 -46.24 89.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.41 ' N ' HG11 ' A' ' 126' ' ' VAL . 33.1 tt0 -59.74 -49.93 75.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.72 -41.84 87.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 62' ' ' ASP . . . -43.73 -43.16 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 77.9 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.5 t60 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.863 0.363 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.19 -43.59 61.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 32.2 m -52.47 -46.43 66.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -56.94 -43.62 81.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 87.3 mmm -58.12 -50.65 72.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -71.32 -13.0 61.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -82.11 -72.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -107.13 -23.58 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 72.84 -169.16 52.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -125.51 124.46 41.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.912 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -105.33 116.49 32.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 25.2 t30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.877 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.782 0.325 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -96.43 139.88 31.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 149.14 32.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -132.44 136.92 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 tpp85 -75.08 114.01 13.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 m -146.45 172.15 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -110.6 159.19 17.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -110.17 110.27 21.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.994 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.47 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 5.4 mp -77.65 -41.84 36.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.09 -178.16 28.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.7 ttp -109.32 139.74 43.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.2 117.38 6.79 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 155.13 66.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.236 . . . . 0.0 112.397 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 m -135.72 153.04 32.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -104.61 -9.93 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -115.64 135.75 22.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -30.06 22.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.228 . . . . 0.0 112.339 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.4 m -138.99 -175.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.06 105.63 2.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 67.1 mmm -52.25 -29.39 22.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.01 -33.85 76.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.0 m -82.92 -41.66 18.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 tt -62.32 -43.78 98.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -72.88 -41.04 65.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 t -53.15 -20.8 4.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.24 -33.79 19.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mt -55.52 -64.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 44' ' ' LEU . 3.3 mm-40 -48.57 -57.98 5.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' GLU . 33.3 m-20 -35.39 -34.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' GLU . 22.8 mt -85.82 -54.55 4.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.4 mtp -46.19 -46.33 17.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -63.94 -24.72 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 t -77.11 -52.04 9.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.0 m -121.09 144.16 48.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 m -75.31 170.77 15.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.532 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 68.8 tttt -59.23 -45.37 91.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -74.43 -22.0 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.08 -20.53 62.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.532 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.4 m0 -78.83 120.85 82.37 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 160.82 48.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.298 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.4 p -93.66 127.62 39.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.444 ' CG1' ' CD1' ' A' ' 77' ' ' LEU . 25.4 m -135.61 161.4 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -100.68 116.95 33.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.9 ttm -88.32 98.47 11.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -86.16 119.5 26.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.9 t -117.23 99.76 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -76.12 -176.85 3.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -40.4 -66.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.64 29.46 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 61' ' ' ALA . 9.9 m -139.41 148.54 42.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.5 t -129.56 102.2 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.402 ' CG2' HG13 ' A' ' 76' ' ' VAL . 1.6 m -108.56 135.69 49.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' LEU . 90.5 t -103.62 112.82 38.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.7 mt -109.14 137.24 42.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.5 t -58.19 144.27 41.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -64.1 -32.18 73.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -70.22 -72.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.46 163.81 16.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -114.29 14.03 17.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -127.65 -0.39 6.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -90.71 94.8 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.402 HG13 ' CG2' ' A' ' 66' ' ' THR . 40.4 t -76.2 90.07 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' VAL . 62.5 mt -53.29 -50.88 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.8 t -145.26 129.5 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -105.53 95.87 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 8.8 t -111.61 145.36 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.478 ' HD3' ' CE1' ' A' ' 84' ' ' PHE . 13.9 ttt180 -116.4 121.47 42.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.5 t -42.01 -39.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -68.19 -38.16 81.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.478 ' CE1' ' HD3' ' A' ' 81' ' ' ARG . 3.3 m-85 -74.42 -18.01 60.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.32 114.3 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.4 t -77.18 -47.19 20.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 172' ' ' TYR . 87.9 t80 -164.11 141.87 7.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.4 ptp -130.11 160.8 32.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.4 -175.78 39.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 23.2 t -128.59 139.62 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.383 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.64 -179.53 6.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -45.99 -38.47 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.747 0.308 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.94 156.12 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 164' ' ' LEU . 35.4 m -90.39 7.81 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -96.03 -14.77 22.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 78.5 p -104.2 148.66 26.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.448 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 21.2 t80 -145.91 115.2 7.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -123.37 148.77 45.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 99' ' ' PHE . 3.5 p90 -139.09 150.77 46.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.3 mt -110.42 123.81 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptm -112.94 161.49 16.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -102.58 104.65 15.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -179.899 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 107' ' ' ARG . 2.6 ptp180 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.827 0.346 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -124.32 159.8 29.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -114.16 144.1 43.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.2 t -122.76 116.08 23.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -109.18 142.39 40.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.9 t -120.02 146.0 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -144.96 129.71 18.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -81.53 116.26 21.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 61.4 m -96.0 146.98 24.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.8 mm-40 -129.44 127.98 23.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.578 0.704 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.7 Cg_endo -69.74 -47.96 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.354 -0.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.35 176.36 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -93.89 40.22 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.471 ' CB ' HD21 ' A' ' 164' ' ' LEU . . . -79.86 -54.61 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -72.99 -18.82 61.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 39.7 t -81.87 -45.09 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.9 m -72.92 -32.18 65.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 5.7 pt-20 -65.24 -43.09 92.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 124' ' ' GLU . . . -63.45 -47.28 82.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.65 -37.4 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -59.03 -49.22 78.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.81 -37.62 76.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -45.41 -36.08 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.889 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.3 t60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.857 0.361 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . 0.471 ' CD1' ' HB ' ' A' ' 94' ' ' VAL . 0.6 OUTLIER -42.32 -54.75 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.963 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 169' ' ' GLN . 80.5 p -39.55 -58.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.04 -42.41 18.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 47.2 mmm -65.26 -47.01 78.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -82.41 -4.73 57.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 165' ' ' SER . 21.3 mt-30 -94.51 -68.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . 0.62 HD21 ' N ' ' A' ' 171' ' ' GLY . 0.4 OUTLIER -107.93 -29.78 8.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . 0.62 ' N ' HD21 ' A' ' 170' ' ' ASN . . . 84.62 -158.15 33.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.464 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . 0.44 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 32.9 t80 -139.62 126.94 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -105.78 120.02 40.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 19.4 t30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.66 0.743 . . . . 0.0 110.828 -179.904 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 61' ' ' ALA . 7.7 p . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.807 0.337 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -112.41 128.17 56.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -99.71 148.72 24.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -132.12 141.84 49.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' NH1' ' OE2' ' A' ' 116' ' ' GLU . 3.8 tmm_? -79.38 114.74 18.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.6 m -150.66 178.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -116.77 164.88 13.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -116.7 116.4 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.564 HD22 ' CH2' ' A' ' 53' ' ' TRP . 5.3 mp -80.89 -36.18 31.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.37 -172.43 24.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.449 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.471 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 15.0 ttp -115.48 138.72 50.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -141.13 121.6 8.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 110.954 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 141.56 45.87 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.388 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 36' ' ' THR . 34.4 m -115.95 158.93 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.71 -41.48 12.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -115.33 145.09 33.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -36.14 11.26 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.7 m -118.6 153.69 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.63 101.78 1.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.496 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 2.4 mmt -44.2 -40.19 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -54.23 -37.22 64.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 28' ' ' VAL . 25.2 m -79.24 -43.99 22.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.97 -58.32 9.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 34' ' ' MET . 63.6 m-80 -56.81 -47.66 79.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 t -39.36 -27.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' ASN . . . -82.47 -41.52 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 38' ' ' ASN . 75.7 mt -46.36 -60.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -55.8 -51.66 66.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -41.71 -38.22 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 112' ' ' VAL . 9.8 mt -83.24 -54.35 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.7 mtt -46.79 -35.35 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 p -66.17 -53.28 39.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.8 t -63.56 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 p -95.88 142.8 27.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -96.58 164.9 12.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.551 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 34.1 tttm -41.79 -47.37 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -70.27 -33.09 71.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.24 -29.47 67.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CH2' HD22 ' A' ' 23' ' ' LEU . 2.4 m0 -77.03 114.36 38.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.621 0.724 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 160.83 48.25 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.645 2.23 . . . . 0.0 112.324 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 m -91.42 122.79 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.4 m -136.64 165.53 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -101.35 125.06 47.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.3 ttm -90.67 101.56 14.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -85.66 106.14 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.8 t -106.94 100.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.435 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -79.8 177.79 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -47.69 -58.27 4.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.09 40.89 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 61' ' ' ALA . 88.3 m -158.1 149.14 20.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.3 t -134.43 98.92 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.9 m -105.81 151.15 24.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.443 HG23 ' CE2' ' A' ' 113' ' ' PHE . 86.0 t -114.24 116.32 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.4 mt -114.97 148.33 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -71.42 168.8 16.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -84.8 -40.12 17.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 72' ' ' ASN . 0.1 OUTLIER -71.16 -44.88 64.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.458 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 59.9 m-20 -106.35 165.65 11.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -112.53 -39.98 4.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -72.28 -34.56 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -48.74 105.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.411 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.1 p -98.86 84.51 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.6 mt -47.52 -56.43 7.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.7 t -141.63 132.53 26.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -113.56 96.4 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.0 t -107.8 145.0 34.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 82' ' ' VAL . 1.1 mpt_? -118.37 127.69 53.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 81' ' ' ARG . 89.4 t -36.71 -48.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -49.8 -46.12 50.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 81' ' ' ARG . 11.4 m-85 -67.75 -34.41 76.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.4 tt -47.7 112.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.3 p -86.69 -38.94 16.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -166.74 136.44 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.2 ptp -125.68 150.26 47.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -163.82 -171.87 30.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 91' ' ' GLY . 71.9 t -126.7 143.67 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.147 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.442 ' N ' HG13 ' A' ' 90' ' ' VAL . . . -77.32 177.86 52.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -37.54 -47.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.73 0.3 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -91.82 122.35 34.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.446 ' HB ' ' CD2' ' A' ' 164' ' ' LEU . 16.1 m -55.05 -21.41 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 2.4 m80 -67.19 -24.83 65.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.0 p -87.63 152.47 22.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -145.02 115.42 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -125.93 150.18 48.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -151.4 140.41 21.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.0 mp -96.37 130.81 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.6 ptm -118.87 148.39 42.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.03 109.69 21.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 80.0 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.865 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.851 0.358 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -105.23 145.17 31.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -107.32 149.08 28.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 41.9 t -121.79 110.88 16.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.471 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 84.0 m-70 -91.83 133.6 35.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 44' ' ' LEU . 66.6 t -113.16 135.36 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.459 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 15.7 m-85 -136.44 133.95 37.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -87.33 122.83 31.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 81.8 m -98.61 161.99 13.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.496 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 44.0 mt-10 -146.21 129.11 8.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 110.879 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.581 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 53.9 Cg_endo -69.79 -49.08 0.24 Allowed 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.338 0.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.16 -178.61 3.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -101.97 38.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.6 -57.1 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.26 -48.58 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.45 -64.45 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.1 m -50.41 -38.43 42.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.38 -43.12 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.6 -47.59 83.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 127' ' ' GLN . 11.8 p -67.78 -49.01 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.428 ' N ' HG13 ' A' ' 126' ' ' VAL . 35.3 tt0 -51.51 -48.47 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 129' ' ' ALA . . . -68.36 -42.14 79.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 128' ' ' ALA . . . -38.03 -45.61 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 65.8 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 23.0 t60 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.801 0.334 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . 0.446 ' CD2' ' HB ' ' A' ' 94' ' ' VAL . 8.4 mt -39.58 -55.78 1.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.418 ' O ' ' CG ' ' A' ' 168' ' ' GLN . 1.8 m -53.41 -51.32 62.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -49.02 -44.15 41.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' MET . . . . . 0.403 ' SD ' ' NE2' ' A' ' 127' ' ' GLN . 87.2 mmm -53.91 -53.86 46.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 165' ' ' SER . 3.4 pt20 -67.69 -23.97 65.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -70.15 -68.18 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -114.63 -27.59 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 70.74 -172.71 42.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -123.99 133.45 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.939 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -110.34 118.61 36.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 14.7 t30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.648 0.737 . . . . 0.0 110.925 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 16' ' ' GLN . 85.0 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.802 0.334 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.474 ' N ' HG13 ' A' ' 15' ' ' VAL . 10.9 mt-30 -106.02 113.25 26.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -83.6 124.67 31.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -115.96 134.01 55.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -78.34 106.6 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.4 m -140.31 173.42 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -114.18 152.95 30.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -101.13 106.86 18.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 5.9 mp -75.22 -55.31 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.53 -177.04 37.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.9 ttp -107.67 149.42 28.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.68 117.3 1.93 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 142.02 46.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.665 2.244 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.4 m -116.1 144.76 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -63.67 -45.17 91.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -121.61 151.7 57.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.562 ' HB3' ' CD2' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.8 -39.22 6.7 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.667 2.244 . . . . 0.0 112.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.2 m -103.18 -175.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.13 103.93 0.84 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.439 ' HA ' ' CE ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -53.24 -52.54 58.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.854 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -44.02 -35.42 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.6 m -78.12 -39.96 39.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.8 tt -64.1 -55.62 20.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -53.34 -34.84 59.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 t -58.26 -19.71 36.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.27 -35.18 17.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.07 -62.86 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -48.12 -51.09 26.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -39.9 -54.64 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 47' ' ' SER . 6.3 mt -68.78 -60.18 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.2 mtt -38.34 -40.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.7 p -73.66 -37.38 65.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' LEU . 67.0 m -66.85 -58.26 5.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.6 m -103.18 169.55 8.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.496 ' O ' ' NE1' ' A' ' 53' ' ' TRP . 13.4 p -98.59 159.02 15.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 19.1 tttt -62.63 -18.34 62.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -92.27 -31.86 15.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.86 -34.55 76.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.512 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 2.1 m0 -61.7 112.24 5.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.524 0.678 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 136.81 33.91 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.724 2.282 . . . . 0.0 112.322 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 m -72.98 111.04 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.1 m -115.89 168.71 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -98.99 124.48 43.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.8 ttm -92.69 101.59 14.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.412 ' ND2' HG13 ' A' ' 68' ' ' ILE . 19.6 m-80 -76.24 100.52 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.2 t -102.47 98.18 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.474 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . . . -93.92 173.08 7.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 129' ' ' ALA . 31.0 t0 -39.51 -70.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.5 42.92 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.057 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -158.28 149.82 21.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.143 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.3 t -140.23 106.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 67' ' ' VAL . 40.0 m -110.95 145.67 37.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.446 ' N ' HG23 ' A' ' 66' ' ' THR . 53.0 t -110.68 105.42 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.431 HG21 ' N ' ' A' ' 69' ' ' SER . 83.0 mt -104.27 153.26 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.431 ' N ' HG21 ' A' ' 68' ' ' ILE . 8.3 t -76.27 160.88 29.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -72.79 -37.17 67.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -85.59 -57.67 2.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -81.14 141.93 33.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -100.73 -37.22 8.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -82.22 -12.62 57.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -67.91 97.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.6 t -86.63 76.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.5 mt -42.73 -72.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.7 t -127.82 129.39 69.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -104.46 97.79 7.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.9 t -105.55 148.14 27.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 82' ' ' VAL . 58.4 mtt180 -140.95 124.51 16.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.495 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 2.3 m -34.12 -45.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.2 mtm-85 -45.94 -48.96 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 81' ' ' ARG . 33.3 m-85 -75.44 -32.03 60.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.9 tt -47.48 100.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.9 p -78.12 -47.0 19.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -158.19 141.0 14.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.4 ptp -129.24 153.24 47.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.42 -170.41 26.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 91' ' ' GLY . 41.9 t -134.34 146.23 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 111.193 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.455 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -85.87 164.09 37.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 91' ' ' GLY . 7.0 mtpm? -34.89 -43.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -81.82 108.75 15.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.9 m -55.76 -16.43 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.411 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 9.1 m80 -84.68 27.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.1 p -136.33 164.24 28.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -156.42 116.1 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -129.61 136.0 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -132.38 145.15 51.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.426 ' CD1' ' O ' ' A' ' 31' ' ' PRO . 68.6 mt -100.93 119.35 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.437 ' HE3' ' CG2' ' A' ' 103' ' ' THR . 24.0 ptm -118.45 155.76 30.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -94.12 104.11 16.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.437 ' CG2' ' HE3' ' A' ' 101' ' ' MET . 70.4 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 31' ' ' PRO . 7.2 m-85 -101.31 143.18 31.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -105.3 157.21 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.4 t -124.38 111.6 15.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -92.52 130.87 38.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 113' ' ' PHE . 40.8 t -109.15 139.38 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.41 ' N ' HG11 ' A' ' 112' ' ' VAL . 90.9 m-85 -143.6 119.99 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.411 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 34.8 t-105 -74.56 125.05 27.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.407 ' C ' ' HG2' ' A' ' 116' ' ' GLU . 79.9 m -100.96 161.67 13.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.474 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.3 mm-40 -146.29 127.67 7.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.739 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.9 Cg_endo -69.75 -50.77 0.17 OUTLIER 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.366 -0.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.59 -176.4 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -103.11 42.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.15 -48.8 19.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 124' ' ' GLU . 4.8 m120 -76.21 -61.09 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 121' ' ' ASN . 99.0 t -36.86 -51.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.3 m -65.78 -39.41 90.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 121' ' ' ASN . 26.2 tt0 -60.03 -42.02 93.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.59 -54.27 42.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.7 p -62.13 -42.69 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.457 ' NE2' ' CG ' ' A' ' 172' ' ' TYR . 0.7 OUTLIER -48.49 -54.84 12.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.59 -38.63 77.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 62' ' ' ASP . . . -45.92 -39.62 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 75.5 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 10.1 t60 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.863 0.363 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.03 -46.98 72.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.469 ' HA ' ' CG ' ' A' ' 168' ' ' GLN . 13.4 t -55.09 -56.49 19.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -42.09 -33.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 9.8 mtp -73.09 -53.14 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.469 ' CG ' ' HA ' ' A' ' 165' ' ' SER . 2.7 pt20 -70.4 -12.69 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -85.37 -72.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.55 -41.86 5.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 100.64 -168.33 20.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . 0.457 ' CG ' ' NE2' ' A' ' 127' ' ' GLN . 62.8 t80 -139.45 120.37 14.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.959 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -98.9 117.9 34.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 46.1 t-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 121.55 0.69 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 61' ' ' ALA . 11.0 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.833 0.349 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -96.66 149.66 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 146.66 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -134.61 147.92 50.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -87.71 110.9 20.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.4 m -142.92 -179.26 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -119.53 159.05 25.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -105.92 107.17 18.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' CD2' ' HG2' ' A' ' 45' ' ' MET . 5.4 mp -76.06 -35.98 59.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.11 -171.19 24.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.421 ' N ' HD21 ' A' ' 44' ' ' LEU . 11.1 tmm? -120.28 139.44 52.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.438 HD11 ' N ' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -144.96 118.27 5.5 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 110.908 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.438 ' N ' HD11 ' A' ' 26' ' ' LEU . 53.6 Cg_endo -69.81 146.08 58.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.09 159.67 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -90.57 -33.78 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -117.33 145.23 35.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.727 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.76 -31.69 20.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.3 m -130.54 151.56 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.82 94.42 0.34 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 34' ' ' MET . 1.4 mmt -44.16 -38.06 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -57.36 -40.11 77.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.412 ' O ' ' CB ' ' A' ' 39' ' ' SER . 60.0 m -74.14 -46.83 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 tp -43.56 -63.79 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -57.88 -21.65 44.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 36' ' ' THR . 1.9 t -65.41 -29.26 69.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.86 -32.01 19.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.4 mt -59.23 -61.42 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASN . 10.5 mt-10 -49.3 -55.65 12.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' GLU . 40.9 m-20 -35.3 -51.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.421 HD21 ' N ' ' A' ' 25' ' ' MET . 6.4 mt -71.93 -59.3 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.463 ' HG2' ' CD2' ' A' ' 23' ' ' LEU . 15.5 mtt -38.66 -38.09 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.6 p -74.46 -46.24 41.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 m -60.49 -54.39 46.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -108.22 146.99 32.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.573 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 28.0 m -88.28 167.3 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.812 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HA ' ' CD2' ' A' ' 53' ' ' TRP . 44.6 tttm -53.41 -44.41 68.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -71.21 -32.97 69.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.28 -34.38 72.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.573 ' CD1' ' O ' ' A' ' 49' ' ' SER . 4.7 m0 -64.42 112.65 8.2 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.55 0.69 . . . . 0.0 110.934 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 131.8 22.04 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.637 2.225 . . . . 0.0 112.401 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.1 m -68.1 124.79 24.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 m -136.34 168.19 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.55 126.77 51.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.0 ttm -94.2 108.88 20.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -92.99 114.16 26.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.8 t -114.37 98.82 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.451 ' N ' HG22 ' A' ' 15' ' ' VAL . . . -75.32 179.78 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -43.81 -60.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.58 37.15 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' ALA . 5.4 m -150.29 151.07 32.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.9 t -132.7 96.75 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.422 HG21 ' N ' ' A' ' 67' ' ' VAL . 13.8 m -100.67 144.88 29.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.422 ' N ' HG21 ' A' ' 66' ' ' THR . 54.9 t -108.92 119.09 57.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.6 mt -119.47 147.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.47 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 2.2 t -73.05 173.26 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.15 -38.87 21.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -68.4 -75.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.591 ' ND2' ' H ' ' A' ' 72' ' ' ASN . 0.1 OUTLIER -88.62 136.93 32.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -88.95 -16.11 32.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -87.21 -12.54 46.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -72.48 116.1 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.8 t -105.59 83.57 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.5 mt -50.97 -53.51 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 94.4 t -143.04 135.6 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -116.35 96.79 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.9 t -108.89 147.08 32.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' PHE . 2.1 mpt_? -118.34 123.89 46.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 81' ' ' ARG . 74.6 t -34.82 -49.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -52.1 -46.46 65.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' ARG . 4.7 m-85 -66.48 -29.95 70.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.474 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 2.5 tt -51.04 115.16 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -85.61 -50.2 7.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 2.7 t80 -148.75 142.28 25.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.46 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 8.2 ptp -138.36 145.31 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.54 -162.97 17.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.6 t -131.91 144.92 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.338 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.81 -169.55 23.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -45.46 -47.88 13.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -94.32 139.7 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.2 m -70.81 -11.57 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 7.3 m80 -77.34 -11.81 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.3 p -100.52 150.73 22.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -143.68 118.61 9.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -133.87 141.3 47.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 99' ' ' PHE . 12.8 p90 -136.16 144.21 44.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.8 mt -105.13 117.75 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.3 ptm -109.09 165.04 11.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -107.74 108.62 19.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -179.91 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.455 ' O ' ' CG ' ' A' ' 107' ' ' ARG . 8.9 ptm180 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.886 0.374 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 4.1 m-85 -120.77 146.15 46.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -111.81 136.42 51.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 32.3 t -112.79 109.23 18.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -95.5 140.7 29.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 113' ' ' PHE . 6.5 t -119.42 148.06 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.422 ' N ' HG12 ' A' ' 112' ' ' VAL . 62.8 m-85 -151.25 128.98 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -80.08 119.3 22.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 13.6 m -92.53 165.73 12.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.493 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 21.9 mt-10 -151.62 128.65 5.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.646 0.736 . . . . 0.0 110.933 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.562 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 54.4 Cg_endo -69.72 -47.93 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.376 0.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.73 179.76 4.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -100.77 46.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.25 -62.25 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -58.86 -51.98 67.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 69.4 t -50.88 -52.19 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.0 m -65.36 -33.01 74.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -68.48 -38.93 81.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.18 73.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.63 -41.95 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -54.33 -50.87 66.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.71 -41.16 88.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.28 -36.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 74.6 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.929 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 14.0 t60 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 30.8 mt -42.28 -53.58 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 87.3 p -54.32 -46.13 72.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -56.69 -32.6 65.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 85.8 mmm -70.97 -54.7 10.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -68.48 -18.93 64.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -79.02 -70.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -109.91 -31.53 7.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 84.69 -166.99 41.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -127.1 129.57 48.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.913 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' ASN . 20.9 mp0 -105.86 106.5 17.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 85' ' ' LEU . 26.8 t30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.632 0.729 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.447 HG23 ' CA ' ' A' ' 61' ' ' ALA . 9.6 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.819 0.342 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -98.64 140.3 33.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.13 144.42 45.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -133.53 148.16 51.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -88.83 110.2 20.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 m -141.81 -175.56 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -121.73 160.41 24.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -112.47 117.5 32.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.92 -44.14 15.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.17 177.77 21.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.443 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.1 ttp -102.63 140.36 37.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.16 118.24 4.25 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.614 0.721 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.61 45.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.4 m -109.92 154.95 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.84 -44.13 28.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 30' ' ' ARG . 2.0 mpt_? -116.57 147.06 38.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.554 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.75 -12.23 32.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.376 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 m -141.97 166.51 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.63 103.24 2.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.1 mmt -49.72 -41.33 43.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -54.56 -26.56 32.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.6 m -91.04 -45.8 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 tt -57.24 -45.45 83.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.95 -48.16 72.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.4 t -44.42 -28.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.86 -37.85 21.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.7 mt -52.49 -57.06 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' ASN . 10.7 mt-10 -53.23 -52.37 59.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLU . 74.6 m-20 -37.32 -41.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.4 mt -79.04 -54.94 5.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.463 ' HE2' ' CH2' ' A' ' 53' ' ' TRP . 2.8 mtt -44.99 -41.49 7.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.2 p -60.97 -41.36 96.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.5 m -62.73 -66.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.4 m -109.34 150.18 28.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 56.5 m -81.91 164.08 21.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.838 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' CH2' ' A' ' 53' ' ' TRP . 1.7 tmtp? -48.09 -59.46 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -68.49 -23.33 64.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' HB3' ' N ' ' A' ' 49' ' ' SER . 12.3 t0 -65.85 -24.28 66.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.576 ' CH2' ' HA ' ' A' ' 50' ' ' LYS . 5.2 m0 -71.57 132.43 85.5 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.582 0.705 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.68 28.52 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.3 m -72.57 123.85 24.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.1 m -128.24 -177.95 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -124.2 127.13 47.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.561 ' HE1' ' CD1' ' A' ' 113' ' ' PHE . 20.7 tpp -94.12 116.13 28.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -104.49 123.78 48.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.6 t -115.04 98.46 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.447 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -90.96 -178.08 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.071 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.4 102.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 52.93 37.79 25.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.061 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.0 m -151.46 148.6 28.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 82.2 t -133.63 101.16 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.3 m -100.73 134.21 44.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.1 t -100.95 111.15 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.1 mt -106.79 153.51 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 t -83.78 155.12 23.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -68.17 -43.98 76.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -55.45 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.43 ' ND2' ' HB2' ' A' ' 75' ' ' GLU . 3.0 p30 -103.47 161.0 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -100.37 -33.66 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.414 ' N ' ' HG2' ' A' ' 73' ' ' GLU . 11.1 pt-20 -68.4 -31.67 71.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.43 ' HB2' ' ND2' ' A' ' 72' ' ' ASN . 15.2 tp10 -54.87 113.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.46 80.5 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.4 mt -42.65 -59.16 2.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 79' ' ' GLU . 98.8 t -148.7 134.31 11.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' N ' HG12 ' A' ' 78' ' ' VAL . 16.8 tt0 -107.69 97.17 6.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.6 t -104.36 146.07 29.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 82' ' ' VAL . 35.9 mtt180 -131.14 121.83 25.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.496 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 22.0 t -36.32 -50.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.4 OUTLIER -37.01 -57.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 85' ' ' LEU . 38.1 m-85 -66.06 -41.53 90.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 84' ' ' PHE . 2.6 tt -34.31 109.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.9 p -86.14 -37.36 18.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 172' ' ' TYR . 72.8 t80 -163.87 147.4 9.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.442 ' CE ' ' SG ' ' A' ' 130' ' ' CYS . 6.3 ptp -139.66 148.77 42.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.67 -169.79 30.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 95.3 t -123.87 142.89 39.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 111.102 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.22 -151.73 0.7 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -62.81 -43.47 98.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.03 128.66 45.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.7 m -53.56 -27.43 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 2.1 m80 -60.22 -31.66 70.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 65.1 p -78.15 154.87 30.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -152.07 114.87 4.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.83 146.5 50.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 111' ' ' HIS . 22.0 p90 -140.53 140.17 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.4 mt -97.59 121.19 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.9 ptm -121.89 158.33 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.38 118.41 29.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.3 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -179.887 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.6 mtp-105 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 7.8 m-85 -95.09 147.85 22.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -105.45 153.86 21.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 50.6 t -129.14 113.39 15.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 97.3 m-70 -93.33 127.01 38.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.5 t -108.98 139.3 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.561 ' CD1' ' HE1' ' A' ' 58' ' ' MET . 23.0 m-85 -141.95 130.77 22.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -81.29 122.76 27.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 74.5 m -93.03 168.68 10.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.453 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 26.2 mt-10 -153.66 124.66 3.55 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.583 0.706 . . . . 0.0 110.878 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.597 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 54.1 Cg_endo -69.76 -50.82 0.17 OUTLIER 'Cis proline' 0 C--N 1.34 0.13 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.34 0.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.39 179.12 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.416 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -96.17 42.7 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.076 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -82.55 -55.81 4.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -60.22 -57.39 13.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 95.7 t -51.08 -56.03 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.7 m -59.73 -42.86 94.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.77 -33.86 68.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.76 -58.95 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.3 p -54.44 -37.3 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -58.15 -47.08 84.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.02 83.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.061 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -44.17 -33.5 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.442 ' SG ' ' CE ' ' A' ' 88' ' ' MET . 55.8 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 10.3 t60 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.858 0.361 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . 0.416 HD21 ' C ' ' A' ' 119' ' ' ALA . 18.5 mt -55.24 -50.34 69.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 168' ' ' GLN . 72.6 p -57.83 -48.61 79.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -48.19 -44.46 32.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 4.2 mtp -53.93 -55.19 29.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 165' ' ' SER . 2.8 pt20 -66.07 -27.89 68.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -68.54 -63.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -116.19 -36.18 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 86.49 -167.57 39.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . 0.476 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 64.4 t80 -131.15 134.11 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.948 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -112.62 118.08 34.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 10.6 t-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 61' ' ' ALA . 9.1 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.788 0.327 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -102.61 144.86 30.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.08 146.73 36.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -134.93 130.45 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -69.78 110.48 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.5 m -142.28 -177.9 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -130.18 146.64 51.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -96.53 124.51 40.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 6.3 mp -90.49 -41.51 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.54 -178.99 28.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.489 ' CG ' ' OE2' ' A' ' 109' ' ' GLU . 9.1 tmm? -107.04 138.96 42.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 27' ' ' PRO . 0.6 OUTLIER -143.68 115.68 5.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.921 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.473 ' N ' HD12 ' A' ' 26' ' ' LEU . 53.9 Cg_endo -69.74 144.12 53.11 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.2 m -118.15 159.59 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -90.31 -39.4 12.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -118.64 144.82 36.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -36.0 11.7 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.752 2.301 . . . . 0.0 112.303 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.38 149.66 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.28 103.98 1.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.448 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 mmt -52.1 -30.66 27.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.01 -26.25 68.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 m -93.81 -45.94 7.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 100' ' ' ILE . 8.7 tt -56.06 -46.03 79.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -71.87 -42.93 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.4 t -54.65 -17.79 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.803 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.9 -39.18 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.2 mt -53.52 -60.13 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 44' ' ' LEU . 16.3 mm-40 -55.89 -54.18 47.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' GLU . 76.7 m-20 -34.75 -34.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' GLU . 39.8 mt -89.98 -44.86 9.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.474 ' HE2' ' CH2' ' A' ' 53' ' ' TRP . 3.0 mtt -54.44 -47.64 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.2 t -54.24 -36.8 63.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.0 p -81.12 -63.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -95.15 139.36 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.578 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 5.9 m -93.65 176.88 6.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.5 tttt -52.72 -46.39 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.73 -37.47 79.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -57.31 -28.58 63.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 49' ' ' SER . 3.1 m0 -77.59 112.66 25.72 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 141.29 44.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.1 m -69.31 126.38 29.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.9 m -136.3 169.04 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.59 117.67 32.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.5 ttm -86.1 107.58 17.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -92.99 103.48 15.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.7 t -102.09 98.84 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -71.01 -177.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.414 ' CG ' ' N ' ' A' ' 63' ' ' ALA . 8.6 p-10 -53.2 -53.01 56.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.414 ' N ' ' CG ' ' A' ' 62' ' ' ASP . . . -130.76 39.77 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 61' ' ' ALA . 5.6 m -160.01 147.81 16.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.7 t -127.49 100.33 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.401 ' CG2' HG22 ' A' ' 76' ' ' VAL . 18.0 m -107.1 146.47 31.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.9 t -111.41 113.66 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.446 ' CG2' ' HA ' ' A' ' 73' ' ' GLU . 72.9 mt -107.13 143.03 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 t -85.25 133.95 34.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -53.5 -33.44 54.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -54.19 -43.35 70.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.444 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 3.1 m-80 -153.67 147.88 25.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.446 ' HA ' ' CG2' ' A' ' 68' ' ' ILE . 28.2 tt0 -74.24 -28.77 61.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -83.35 3.28 32.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -97.54 83.16 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.401 HG22 ' CG2' ' A' ' 66' ' ' THR . 11.2 p -86.1 110.55 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 mt -73.52 -47.23 42.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.454 HG13 ' CE1' ' A' ' 111' ' ' HIS . 90.5 t -142.51 139.55 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.42 ' N ' HG12 ' A' ' 78' ' ' VAL . 22.7 tt0 -121.73 99.68 6.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.6 t -109.79 147.63 32.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' PHE . 24.5 ttt180 -127.3 136.37 51.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.6 t -37.85 -51.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -54.81 -40.54 69.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ARG . 12.7 m-85 -72.54 -24.15 61.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.462 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 2.3 tt -69.6 107.39 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 71.5 p -77.32 -49.01 15.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -158.16 133.88 9.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.94 170.28 8.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.52 175.54 44.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.3 t -126.52 151.88 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 111.117 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -80.55 -172.59 45.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -50.25 -44.21 53.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -90.13 126.29 35.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.1 m -59.87 -14.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 21.6 m80 -70.8 -33.88 71.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.7 p -80.17 155.63 27.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -155.05 116.37 4.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -129.27 158.39 39.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -151.67 142.93 23.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.463 ' CD1' HD11 ' A' ' 37' ' ' LEU . 5.1 mp -97.08 120.79 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.454 ' HE3' ' CG2' ' A' ' 103' ' ' THR . 5.8 ptm -115.8 170.4 8.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -112.62 108.3 17.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.454 ' CG2' ' HE3' ' A' ' 101' ' ' MET . 72.5 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.209 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.834 0.349 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -120.79 135.32 55.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.595 ' OE2' ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -109.94 138.31 46.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 19.8 t -108.6 128.92 55.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.595 ' CE1' ' OE2' ' A' ' 109' ' ' GLU . 83.1 m-70 -108.8 143.34 38.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.4 t -124.26 128.41 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 53.2 m-85 -135.46 132.55 37.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -85.77 137.69 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 83.7 m -122.99 147.79 46.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.6 pp20? -138.42 132.16 16.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.659 0.743 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.8 Cg_endo -69.75 -47.41 0.31 Allowed 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.344 0.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -124.55 -178.28 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -105.96 50.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.86 -58.01 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -64.09 -37.8 88.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.92 -64.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.6 m -55.46 -43.14 75.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -60.31 -39.95 88.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.59 -54.73 17.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.11 -39.66 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -63.93 -55.16 24.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.05 98.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -42.83 -29.95 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 74.8 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 166' ' ' LYS . 2.1 t60 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.832 0.348 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 8.8 mt -40.14 -47.32 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 66.4 p -57.1 -38.43 73.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 163' ' ' HIS . 0.8 OUTLIER -53.6 -51.32 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 73.8 mmm -49.37 -59.15 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.84 -28.84 69.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -62.22 -68.83 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -122.43 -32.94 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 89.78 173.17 45.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -108.81 123.25 48.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.83 111.78 23.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 85' ' ' LEU . 38.1 t30 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.619 0.723 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.758 0.313 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -115.12 126.37 54.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -102.44 138.72 38.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -129.05 142.94 50.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.91 115.79 12.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.9 m -140.9 -175.24 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -129.83 159.86 35.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -104.31 114.91 29.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.508 HD23 ' CH2' ' A' ' 53' ' ' TRP . 5.1 mp -92.67 -34.39 13.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.26 -176.82 21.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.1 ttp -122.71 136.34 54.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.7 116.96 18.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 138.39 37.77 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.65 2.234 . . . . 0.0 112.367 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.0 m -137.43 171.17 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -113.63 -36.76 4.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -73.07 116.44 50.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.424 ' C ' HG12 ' A' ' 32' ' ' VAL . 54.3 Cg_endo -69.72 -17.38 37.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 0.0 112.378 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.424 HG12 ' C ' ' A' ' 31' ' ' PRO . 32.2 m -146.73 171.76 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.89 110.64 3.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.8 mmt -57.21 -29.75 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -61.7 -30.78 70.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.4 m -87.3 -51.09 6.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.8 tt -48.06 -50.68 27.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -63.27 -42.94 99.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -49.45 -23.35 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.35 -30.48 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.91 -63.0 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -50.39 -42.46 53.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -46.03 -43.56 14.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' SER . 8.8 mt -82.48 -56.47 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 23' ' ' LEU . 15.9 mtp -38.64 -33.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 77.3 p -81.91 -41.2 21.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.116 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' LEU . 45.3 m -42.86 -60.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -120.49 -176.46 3.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.435 ' O ' ' NE1' ' A' ' 53' ' ' TRP . 23.5 m -95.65 172.39 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.567 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 17.6 tptp -66.9 -38.98 87.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -71.32 -30.44 66.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -63.97 -22.52 66.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 8.7 m0 -78.77 124.99 84.93 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.586 0.707 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 169.76 18.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.2 p -109.47 111.31 22.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 m -122.34 167.63 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -105.02 120.86 42.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.415 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 15.1 tpp -85.01 111.21 19.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -92.68 108.97 20.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.8 t -107.0 99.32 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.22 175.66 7.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 129' ' ' ALA . 74.5 m-20 -42.43 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -116.41 41.71 2.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.3 m -162.23 136.43 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.1 t -124.77 102.45 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.8 m -102.42 150.7 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.7 t -112.73 107.52 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.7 mt -104.39 145.46 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.457 ' CB ' ' HG2' ' A' ' 75' ' ' GLU . 0.9 OUTLIER -81.55 160.66 23.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -83.95 28.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -120.2 -41.89 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -149.8 142.75 24.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.84 -31.48 72.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.495 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 3.2 pm0 -83.51 0.93 44.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.457 ' HG2' ' CB ' ' A' ' 69' ' ' SER . 5.0 tp10 -87.19 81.94 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.2 p -89.3 121.48 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.88 -40.77 8.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 91.5 t -142.08 124.74 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -112.81 98.47 7.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.4 t -105.34 147.82 27.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -128.67 136.08 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.434 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 6.9 m -49.11 -43.8 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -46.88 -26.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -98.05 -35.91 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.411 HD21 ' C ' ' A' ' 85' ' ' LEU . 2.7 tt -45.14 114.27 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.2 p -89.67 -43.68 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -157.72 141.32 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.0 ptp -130.09 153.38 48.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.27 172.89 45.76 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 73.3 t -107.65 144.65 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 111.165 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.48 -161.42 3.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -57.33 -35.37 69.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -101.44 129.68 47.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 m -57.63 -32.75 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -58.74 -27.83 65.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 64.0 p -87.14 156.28 19.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -157.13 113.88 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -121.64 148.03 45.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -136.58 141.2 43.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.1 mt -98.51 122.8 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.7 ptm -116.23 155.66 27.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.59 112.73 25.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.817 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.9 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 -179.909 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.891 0.377 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.4 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 9.6 m-85 -115.55 140.33 49.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -108.18 131.0 55.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.5 t -109.72 113.97 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 113' ' ' PHE . 96.8 m-70 -94.72 152.34 18.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 29.9 t -127.3 137.02 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.435 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 46.5 m-85 -146.19 126.14 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -80.47 119.8 23.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 82.9 m -91.13 161.49 15.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.489 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 6.4 mm-40 -144.85 129.43 9.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.692 0.758 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.7 Cg_endo -69.77 -48.57 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.361 -0.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -125.44 -177.64 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.401 ' C ' HD22 ' A' ' 164' ' ' LEU . . . -98.01 43.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.414 ' N ' HD21 ' A' ' 164' ' ' LEU . . . -82.33 -48.95 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -80.07 -39.21 30.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 71.1 t -56.1 -64.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 19.5 m -59.77 -37.03 77.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -62.23 -39.37 92.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.11 -60.63 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.4 p -53.53 -38.54 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.82 -55.83 29.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.98 -44.33 89.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 62' ' ' ASP . . . -40.33 -49.71 2.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 129' ' ' ALA . 95.8 m . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . 0.414 HD21 ' N ' ' A' ' 120' ' ' ALA . 13.9 mt -48.2 -32.64 7.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 9.8 p -72.3 -52.03 18.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -46.44 -37.71 8.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 2.6 mmt -60.97 -45.6 94.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -77.27 -26.65 52.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -65.46 -74.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -111.61 -39.48 4.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 95.05 -148.5 19.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -143.13 118.56 10.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -100.48 110.88 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 37.9 t-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.461 HG23 ' CA ' ' A' ' 61' ' ' ALA . 9.2 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.737 0.303 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -96.61 144.72 26.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.12 149.9 36.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -134.93 140.11 45.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -82.78 104.41 13.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.0 m -139.56 -176.75 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -119.21 164.99 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.433 ' CD1' ' CE2' ' A' ' 113' ' ' PHE . 10.4 t80 -115.58 108.35 16.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mp -74.74 -44.0 52.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.81 176.03 21.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' A' ' 26' ' ' LEU . 12.2 tmm? -102.67 145.04 30.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.478 ' N ' ' SD ' ' A' ' 25' ' ' MET . 0.4 OUTLIER -144.35 117.96 5.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 110.911 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.8 48.84 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.713 2.275 . . . . 0.0 112.332 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.6 m -126.86 150.98 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -105.59 15.65 26.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -137.49 133.32 18.02 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.561 0.696 . . . . 0.0 110.895 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -32.91 17.52 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.7 m -140.35 173.92 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.46 107.63 2.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.0 mmm -55.15 -38.62 68.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -49.74 -38.62 34.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 98.0 m -79.32 -44.19 22.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.201 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.449 ' CD2' HD12 ' A' ' 41' ' ' ILE . 10.3 tt -53.86 -48.24 70.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -64.88 -40.4 95.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -58.44 -23.11 56.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.78 -28.35 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.449 HD12 ' CD2' ' A' ' 37' ' ' LEU . 81.6 mt -67.73 -59.22 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -53.91 -46.8 71.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -40.5 -44.19 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mt -80.28 -56.16 4.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.2 mtt -39.07 -36.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -72.75 -51.14 20.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 m -55.73 -58.51 7.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.5 m -106.85 152.61 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.444 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 25.2 m -93.86 176.05 6.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.524 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 20.5 tptp -59.69 -48.85 80.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -70.27 -21.33 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -71.44 -25.36 62.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.524 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 5.2 m0 -77.7 116.27 56.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.565 0.697 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 140.03 41.66 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.64 2.226 . . . . 0.0 112.358 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 m -72.87 127.76 33.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.4 m -135.4 169.05 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -106.42 118.36 36.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.1 ttm -87.61 103.83 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.453 ' ND2' ' CD1' ' A' ' 68' ' ' ILE . 3.1 m-80 -92.01 103.86 16.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.7 t -106.03 100.53 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.461 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -78.52 171.7 14.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ALA . 8.3 m-20 -35.31 -65.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -124.35 39.54 3.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.064 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ALA . 19.5 m -150.82 148.11 28.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.0 t -132.58 100.5 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.6 m -112.02 134.55 53.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 94.0 t -99.01 114.82 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.453 ' CD1' ' ND2' ' A' ' 59' ' ' ASN . 75.3 mt -104.66 149.85 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.7 t -87.93 157.73 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.99 -39.24 61.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -51.78 -59.32 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -124.14 147.54 47.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -82.6 -26.91 31.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -85.15 10.04 13.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -92.37 111.94 23.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.9 t -95.84 90.62 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.7 mt -57.41 -50.0 74.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 79' ' ' GLU . 98.2 t -148.14 136.44 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.418 ' N ' HG11 ' A' ' 78' ' ' VAL . 32.7 tt0 -112.94 96.23 5.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.409 ' SG ' ' CB ' ' A' ' 101' ' ' MET . 32.9 t -113.25 142.18 46.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 82' ' ' VAL . 40.1 mtt180 -123.37 130.07 52.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 92.8 t -34.48 -58.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.435 ' NH2' ' CZ ' ' A' ' 84' ' ' PHE . 9.2 ptt85 -40.42 -43.86 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.435 ' CZ ' ' NH2' ' A' ' 83' ' ' ARG . 12.3 m-85 -70.95 -39.93 72.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.427 ' CD1' ' HE2' ' A' ' 88' ' ' MET . 3.3 tt -41.19 121.4 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.42 ' N ' HD21 ' A' ' 85' ' ' LEU . 48.1 p -96.37 -53.35 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -153.63 135.17 14.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.427 ' HE2' ' CD1' ' A' ' 85' ' ' LEU . 6.8 ptp -125.46 163.06 23.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.9 -165.93 32.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.443 HG11 ' N ' ' A' ' 91' ' ' GLY . 79.0 t -130.8 140.44 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.933 0.397 . . . . 0.0 111.087 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.443 ' N ' HG11 ' A' ' 90' ' ' VAL . . . -69.83 -170.79 8.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.472 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -49.69 -37.89 30.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.13 129.0 49.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 m -56.65 -35.73 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -51.37 -27.23 9.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.2 p -85.53 159.79 19.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -158.18 116.35 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -129.0 151.59 49.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -141.33 141.42 33.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.2 mt -97.66 122.16 48.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.409 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER -119.44 158.97 25.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.35 110.22 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.853 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 43.2 mtt85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.87 0.366 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -108.63 139.64 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -111.75 133.87 53.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 17.4 t -108.62 113.45 26.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -99.59 133.43 43.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.6 t -116.49 141.84 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.433 ' CE2' ' CD1' ' A' ' 22' ' ' TYR . 43.4 m-85 -143.99 140.59 29.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.505 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 45.9 t-105 -86.13 117.9 25.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 80.7 m -89.87 157.81 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.481 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.4 mm-40 -143.16 127.93 9.76 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.655 0.74 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.8 Cg_endo -69.74 -49.37 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.328 0.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.06 -176.45 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -101.11 46.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.08 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.65 -43.18 12.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -79.65 -52.59 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 94.8 t -51.42 -59.57 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.8 t -57.62 -42.14 82.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -62.88 -35.35 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.03 -49.57 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 127' ' ' GLN . 10.2 p -68.33 -39.6 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.454 ' N ' HG13 ' A' ' 126' ' ' VAL . 39.5 tt0 -57.48 -53.92 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.64 97.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.59 -41.95 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 79.6 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 10.1 t60 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.758 0.313 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 26.2 mt -39.18 -36.78 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 54.5 m -69.18 -48.35 62.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -40.29 -42.27 1.5 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 46.2 mmm -65.47 -50.89 63.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -66.47 -17.46 64.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -83.71 -73.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -104.56 -45.61 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 100.46 -148.67 18.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -145.49 130.66 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -115.12 112.13 22.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 13.1 t-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.587 0.708 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.416 HG23 ' C ' ' A' ' 60' ' ' VAL . 9.5 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.783 0.325 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -107.79 124.84 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -98.78 135.91 39.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -118.71 135.91 54.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -77.26 107.59 9.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.1 m -139.48 178.37 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -113.42 156.27 23.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -110.33 109.25 19.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.977 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 6.3 mp -76.62 -49.36 16.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.46 -171.53 37.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.8 ttp -119.17 128.85 54.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -139.21 117.5 8.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.928 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.442 ' N ' HD13 ' A' ' 26' ' ' LEU . 53.7 Cg_endo -69.82 160.18 50.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 m -121.85 -177.62 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -116.96 -37.61 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -109.82 143.58 28.19 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.629 0.728 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -32.22 18.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.472 HG12 ' CB ' ' A' ' 173' ' ' GLU . 28.5 m -129.87 145.59 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.44 118.92 2.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.7 mmt -64.97 -40.38 94.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -51.93 -22.21 3.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -97.91 -43.18 7.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.88 -45.91 89.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -66.19 -37.64 86.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -53.49 -24.27 12.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.43 -35.71 19.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.1 mt -59.99 -62.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.77 -51.39 39.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -39.66 -38.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mt -86.71 -47.5 9.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.425 ' HE2' ' CG2' ' A' ' 96' ' ' THR . 3.8 mtp -48.52 -47.51 38.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.7 t -73.69 -29.64 62.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -59.02 -54.85 42.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.1 m -119.6 176.85 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 t -91.83 163.45 14.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 29.0 tttt -64.65 -18.56 65.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -89.73 -32.87 16.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.1 -31.41 68.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.52 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 2.8 m0 -67.67 111.77 8.48 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.524 0.678 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.12 66.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 79.6 p -86.37 118.3 25.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.0 m -124.89 169.73 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 69' ' ' SER . 3.9 m-20 -98.34 126.38 43.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.474 ' HE3' ' CD1' ' A' ' 113' ' ' PHE . 54.3 ttm -97.32 98.2 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -82.38 107.96 15.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.416 ' C ' HG23 ' A' ' 15' ' ' VAL . 84.5 t -107.41 98.43 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -75.38 -178.31 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -49.28 -59.01 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.81 40.14 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 61' ' ' ALA . 22.9 m -158.74 149.04 19.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.5 t -130.81 102.44 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.8 m -104.91 149.15 25.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.463 ' CG1' HD11 ' A' ' 77' ' ' LEU . 85.0 t -111.36 113.61 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.7 mt -114.1 150.32 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.492 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 7.9 t -56.37 173.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -76.1 -42.36 47.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -99.16 -52.79 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -63.55 144.34 57.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -104.89 -33.88 8.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -89.08 -12.25 41.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -73.56 92.33 1.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.4 p -91.8 118.55 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.463 HD11 ' CG1' ' A' ' 67' ' ' VAL . 16.2 mt -84.67 -46.85 11.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.415 HG23 ' CE1' ' A' ' 111' ' ' HIS . 96.9 t -144.02 139.15 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -120.2 94.31 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.6 t -104.75 144.49 31.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -122.0 130.93 53.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' LEU . 77.4 t -42.73 -56.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -38.85 -52.88 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -65.82 -33.62 76.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 82' ' ' VAL . 2.3 tt -41.69 120.21 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.4 t -94.04 -50.74 5.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -150.16 128.73 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.428 ' SD ' ' CG2' ' A' ' 126' ' ' VAL . 7.0 ptp -122.85 139.13 54.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.79 -165.5 23.24 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 91' ' ' GLY . 55.1 t -129.01 145.29 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.177 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.44 ' N ' HG11 ' A' ' 90' ' ' VAL . . . -70.52 -165.9 5.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.428 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -46.4 55.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.03 124.01 37.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 18.5 m -52.55 -22.4 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 6.4 m80 -64.82 -33.09 75.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.469 HG22 ' CE3' ' A' ' 114' ' ' TRP . 65.8 p -80.19 150.27 30.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -145.14 115.89 7.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.96 142.25 50.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -135.21 146.33 48.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -96.24 117.98 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.9 ptm -117.99 145.34 44.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.65 113.56 26.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 51.7 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.89 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.7 mtt-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.874 0.368 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -88.32 151.29 22.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -105.56 133.31 50.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 28.9 t -113.45 110.62 20.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 93.0 m-70 -93.01 135.3 34.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 113' ' ' PHE . 40.7 t -113.18 138.21 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.474 ' CD1' ' HE3' ' A' ' 58' ' ' MET . 31.4 m-85 -144.09 127.74 17.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.469 ' CE3' HG22 ' A' ' 96' ' ' THR . 45.0 t-105 -77.49 130.55 37.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 79.0 m -105.58 144.93 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.477 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 11.7 mp0 -129.88 127.99 22.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.695 0.76 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.58 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 53.7 Cg_endo -69.79 -50.28 0.19 OUTLIER 'Cis proline' 0 C--N 1.342 0.234 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.343 -0.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.64 -176.36 2.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.415 ' C ' HD23 ' A' ' 164' ' ' LEU . . . -104.94 36.47 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.91 -49.42 17.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -63.73 -52.84 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.8 t -53.41 -52.26 33.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -60.39 -41.87 94.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -63.21 -41.67 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.22 -51.13 69.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 127' ' ' GLN . 7.7 p -61.49 -42.07 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.44 ' N ' HG12 ' A' ' 126' ' ' VAL . 32.2 tt0 -55.74 -41.46 73.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.14 71.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -42.81 -45.24 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.916 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 166' ' ' LYS . 11.7 t60 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 163' ' ' HIS . 8.0 mt -36.83 -53.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 5.3 m -55.18 -37.91 67.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 163' ' ' HIS . 5.8 mmtp -57.48 -32.58 67.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' MET . . . . . 0.408 ' O ' ' CA ' ' A' ' 171' ' ' GLY . 81.1 mmm -72.05 -57.87 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -63.43 -28.58 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -69.4 -74.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -103.12 -32.03 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 167' ' ' MET . . . 74.58 -172.61 52.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -135.85 125.54 25.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . 0.472 ' CB ' HG12 ' A' ' 32' ' ' VAL . 2.4 pp20? -110.84 109.17 19.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 173' ' ' GLU . 9.5 t-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.647 0.737 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -164.33 134.38 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.385 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 p -70.67 174.81 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.34 131.62 1.39 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 m -129.57 147.95 51.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.6 m -119.52 148.19 43.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.87 148.81 19.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -178.8 2.51 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.7 m -105.33 129.09 25.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.611 0.72 . . . . 0.0 111.122 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.97 20.27 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -107.74 108.27 19.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.9 p -106.32 114.22 28.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -144.85 152.25 40.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -49.73 95.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.401 HG22 ' C ' ' A' ' 60' ' ' VAL . 14.4 p -127.44 144.13 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -102.26 140.05 37.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.76 139.92 44.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -123.66 131.08 53.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -74.72 113.1 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.3 m -149.81 171.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -103.42 168.49 9.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -118.14 107.29 13.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.462 HD22 ' CZ2' ' A' ' 53' ' ' TRP . 5.8 mp -76.68 -47.42 22.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.04 -161.69 30.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.529 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 32.8 ttp -132.35 131.23 41.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.95 120.63 18.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 144.52 54.27 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.294 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 m -120.69 155.45 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -88.72 -38.33 14.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 -110.69 144.27 29.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -27.63 26.15 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.299 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.9 m -128.02 166.08 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.13 106.32 2.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.8 mmt -58.14 -24.84 60.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -74.14 -22.6 59.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 98.8 m -90.61 -46.63 8.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.0 tt -59.28 -50.0 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.14 -24.99 65.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.481 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 31.2 t -71.89 -18.42 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.15 -26.04 17.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.2 mt -65.0 -60.3 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -53.87 -41.09 67.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 39' ' ' SER . 93.0 m-20 -49.89 -46.32 51.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.4 mt -74.7 -42.05 59.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 mtt -55.54 -38.56 69.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.2 p -63.94 -49.98 70.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 t -55.69 -68.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 p -101.48 146.63 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.419 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.1 m -87.46 -177.96 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 37.3 tttm -60.67 -48.27 82.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.34 -19.71 60.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -72.29 -25.53 61.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.502 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 5.6 m0 -78.33 120.43 81.07 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.51 0.672 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 149.16 66.26 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.691 2.261 . . . . 0.0 112.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -81.28 123.43 28.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.458 HG13 ' CD1' ' A' ' 77' ' ' LEU . 11.3 m -135.74 155.66 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -96.13 122.8 39.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 49.2 ttm -89.76 102.77 15.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -88.9 113.08 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.401 ' C ' HG22 ' A' ' 15' ' ' VAL . 60.5 t -111.94 103.28 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -80.96 179.82 7.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -40.71 -70.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.56 40.53 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 61' ' ' ALA . 4.6 m -154.83 151.46 28.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.6 t -134.03 101.08 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.105 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -102.38 139.18 38.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.407 HG23 ' CZ ' ' A' ' 113' ' ' PHE . 95.8 t -103.39 113.29 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.4 mt -112.04 143.64 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 t -79.94 169.54 17.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -86.5 -39.53 16.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 ptpt -58.37 -27.42 64.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -150.1 156.43 41.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -95.82 -33.99 12.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -77.28 -6.04 51.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 76' ' ' VAL . 4.9 tp10 -78.84 110.98 14.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.498 ' N ' ' OE1' ' A' ' 75' ' ' GLU . 49.1 t -100.62 97.7 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.458 ' CD1' HG13 ' A' ' 56' ' ' VAL . 72.8 mt -66.0 -42.79 89.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.438 HG21 ' CE1' ' A' ' 111' ' ' HIS . 86.5 t -154.73 131.29 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -108.0 98.7 8.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 36.9 t -108.12 146.29 32.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 18.9 mtp85 -123.67 131.53 53.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.1 t -49.81 -35.04 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -61.54 -38.48 87.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -79.25 -30.79 43.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tt -47.54 112.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.2 p -88.35 -45.47 9.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -152.04 143.66 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.43 ' HE1' ' CD1' ' A' ' 172' ' ' TYR . 4.5 ptp -138.93 140.51 38.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.52 176.88 34.56 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.0 t -114.86 141.13 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -66.65 167.14 38.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' GLY . 29.3 tptt -37.49 -30.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 91' ' ' GLY . 3.6 m-20 -98.76 150.15 22.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.7 m -86.48 4.66 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.409 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 5.6 m80 -102.61 7.48 39.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.8 p -125.84 148.06 49.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.43 ' CZ ' HG11 ' A' ' 126' ' ' VAL . 31.8 t80 -140.02 121.45 15.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -131.59 136.9 48.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 6.6 p90 -134.6 141.94 46.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.4 mt -100.68 119.94 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.2 ptm -112.43 162.67 15.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -92.95 118.8 31.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.401 HG22 ' CG ' ' A' ' 109' ' ' GLU . 77.0 p -112.11 35.67 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 159.44 -126.82 1.71 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -98.94 -64.31 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.416 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 4.9 tt0 -112.86 -36.69 5.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -63.88 118.05 7.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 5.0 m-85 -119.81 145.14 46.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.401 ' CG ' HG22 ' A' ' 103' ' ' THR . 81.4 mm-40 -107.37 152.21 24.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.1 t -128.83 108.93 10.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.529 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 71.5 m-70 -95.12 147.95 22.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.01 147.0 27.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.407 ' CZ ' HG23 ' A' ' 67' ' ' VAL . 58.3 m-85 -145.22 130.01 18.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 45.9 t-105 -79.84 123.75 28.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 60.7 m -103.25 137.67 41.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 10.8 mm-40 -125.94 129.78 24.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.2 Cg_endo -69.79 -46.14 0.38 Allowed 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.331 0.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.66 -175.82 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.405 ' C ' HD22 ' A' ' 164' ' ' LEU . . . -102.9 47.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.422 ' N ' HD22 ' A' ' 164' ' ' LEU . . . -83.53 -47.28 11.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -77.38 -32.16 54.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 50.5 t -71.84 -67.55 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.6 p -52.87 -19.02 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -80.44 -35.24 35.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.4 -49.71 21.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.43 HG11 ' CZ ' ' A' ' 97' ' ' PHE . 7.4 p -59.22 -48.39 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.403 ' CG ' ' N ' ' A' ' 128' ' ' ALA . 6.5 pt20 -62.6 -42.73 99.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . -71.87 -24.68 61.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.14 -32.96 71.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.065 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 81.4 m -61.4 -41.83 97.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 t -76.98 -47.69 20.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 142.76 -97.88 0.21 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 141.32 45.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.721 2.281 . . . . 0.0 112.383 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.1 t -120.43 146.48 46.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 63.0 m -77.38 -53.13 8.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.25 -144.51 33.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 75.0 mt -46.03 119.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -76.29 -31.37 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.68 -51.87 3.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -59.91 111.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -114.47 -142.73 8.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 62.4 p -110.79 119.68 39.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 68.6 m -56.63 -61.4 2.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 118.28 -55.8 0.58 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.436 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.7 m -88.76 84.57 6.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.882 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.5 t -70.61 158.46 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -98.82 -74.67 1.16 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 6.4 t -90.31 101.26 13.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.3 m -123.58 121.14 34.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 146.24 48.15 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 89.2 p -166.17 158.91 14.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.816 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 39.8 m -87.15 139.13 30.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 154' ' ' ASP . . . 163.75 -125.04 1.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 153' ' ' GLY . 0.5 OUTLIER -36.03 117.95 0.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -79.18 164.31 24.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -101.71 27.14 6.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 58.5 t -76.81 126.8 37.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 11.5 t -73.71 141.22 78.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.526 0.679 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 3.28 2.85 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.673 2.249 . . . . 0.0 112.37 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -79.61 -45.62 18.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.98 -40.46 62.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -47.89 -36.05 11.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -87.65 -55.99 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 120' ' ' ALA . 11.9 mt -43.25 -30.32 0.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 36.1 m -70.18 -51.94 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -46.94 -46.33 21.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 63.8 mmm -54.86 -46.31 74.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -80.26 6.37 12.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -105.59 -70.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -107.01 -25.96 11.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 74.12 -169.94 53.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.447 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.43 ' CD1' ' HE1' ' A' ' 88' ' ' MET . 5.0 t80 -130.4 111.07 11.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.971 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -96.1 113.06 24.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.42 ' ND2' ' CG2' ' A' ' 176' ' ' THR . 25.1 t30 -53.31 120.85 22.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -50.24 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.42 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 7.7 t -37.91 -36.67 0.21 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -81.94 91.23 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . 0.488 ' HD3' ' CZ ' ' A' ' 180' ' ' PHE . 17.1 mmtp -132.89 64.23 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -103.21 -17.0 15.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.488 ' CZ ' ' HD3' ' A' ' 178' ' ' LYS . 10.9 p90 -74.25 176.58 6.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -118.2 61.8 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -104.57 18.31 22.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 53.3 mtp -78.52 116.03 18.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -73.79 136.65 43.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 30.9 t30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.8 m -60.01 140.33 56.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 t -49.94 -48.07 52.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.35 98.7 0.17 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -108.26 40.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -90.94 110.62 21.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.89 71.55 0.9 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 154.67 67.2 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.0 p -91.99 147.76 35.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.559 0.695 . . . . 0.0 111.151 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 87.25 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -108.35 44.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.7 m -120.17 121.56 39.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -78.6 177.11 8.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -47.42 110.97 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.443 HG21 ' N ' ' A' ' 16' ' ' GLN . 7.7 p -126.58 143.33 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.443 ' N ' HG21 ' A' ' 15' ' ' VAL . 38.6 mt-30 -110.7 131.64 54.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -97.1 144.76 26.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -133.07 125.67 30.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -69.65 118.95 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -154.04 -178.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -118.61 164.32 15.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -115.72 108.78 16.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.508 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 6.3 mp -74.88 -38.81 61.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.92 -170.84 27.04 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -117.31 141.08 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.91 118.51 5.56 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.587 0.708 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.39 54.14 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.368 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.7 m -117.81 153.1 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -84.17 -35.21 23.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -112.94 144.79 31.75 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -26.2 27.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.249 . . . . 0.0 112.28 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 m -134.75 173.3 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.11 102.72 2.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.6 mmt -42.44 -54.37 3.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -45.86 -41.54 11.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.1 m -72.21 -41.33 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.05 -54.73 37.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -57.85 -32.26 67.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.9 t -58.77 -29.93 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.25 -28.4 34.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 mt -68.45 -60.65 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -52.72 -49.15 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -41.64 -39.94 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mt -82.61 -57.47 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.0 mtt -41.8 -39.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.5 p -62.9 -52.61 62.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.1 t -62.34 -73.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.8 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.5 m -82.21 156.62 24.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -104.37 174.69 5.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.554 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 20.3 tttm -61.2 -20.62 62.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -94.35 -21.23 19.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -75.54 -22.89 56.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.554 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 4.1 m0 -77.14 112.71 24.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 144.32 53.5 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.3 m -75.87 127.35 32.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.9 m -138.5 166.89 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -105.32 116.9 32.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.496 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 39.7 ttm -82.79 99.82 9.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -81.27 110.03 16.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.47 99.37 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.5 -175.39 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -46.29 -72.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.421 ' C ' HG23 ' A' ' 82' ' ' VAL . . . -121.11 32.41 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.0 m -151.08 127.2 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.2 t -113.94 107.79 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -109.34 148.83 30.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.7 t -111.23 123.32 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.3 mt -122.29 149.55 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.7 t -62.61 163.67 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -64.21 -46.66 82.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -89.71 -65.81 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -59.02 133.07 55.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -91.27 -42.32 10.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.62 -29.81 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -51.57 102.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 p -105.66 107.69 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mt -79.19 -52.41 8.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.8 t -129.81 146.64 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -134.51 94.86 3.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.424 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 50.2 t -107.27 146.62 31.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' PHE . 54.1 mtt85 -116.83 124.45 49.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 81' ' ' ARG . 57.5 t -35.6 -52.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -57.69 -43.18 84.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' ARG . 3.7 m-85 -69.27 -20.52 63.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 tt -54.75 110.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 87' ' ' PHE . 13.7 p -73.9 -60.51 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.422 ' N ' ' OG ' ' A' ' 86' ' ' SER . 68.6 t80 -154.09 127.59 8.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.4 ptp -110.93 157.25 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.51 172.36 44.88 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 91' ' ' GLY . 55.5 t -117.01 138.09 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.45 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -66.56 174.36 23.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -47.8 -21.3 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.99 136.34 48.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.1 m -71.92 -11.35 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -87.46 17.56 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.8 p -138.42 147.55 43.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -144.48 117.51 8.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -127.52 139.0 53.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.424 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 15.8 p90 -132.81 142.72 49.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.7 mt -99.84 114.47 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.438 ' SD ' ' C ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -107.07 167.48 9.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 102' ' ' ASP . 0.3 OUTLIER -106.31 115.87 30.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.7 p -81.25 -45.66 15.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -122.56 -100.75 1.57 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -121.88 -58.33 1.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.532 ' O ' ' CZ ' ' A' ' 108' ' ' PHE . 1.2 mp0 -101.14 -40.16 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -61.86 128.3 35.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.532 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 8.9 m-85 -127.69 133.33 49.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.37 148.43 27.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.9 t -125.16 107.24 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -93.58 149.17 21.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.09 143.58 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.496 ' CG ' ' CE ' ' A' ' 58' ' ' MET . 30.5 m-85 -144.11 130.22 19.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -84.49 121.9 28.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 72.6 m -93.98 166.17 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.439 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 45.9 mt-10 -151.77 124.13 3.99 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.625 0.726 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.439 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 54.3 Cg_endo -69.68 -47.35 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.747 -1.772 . . . . 0.0 112.362 -0.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 120' ' ' ALA . 3.4 p30 -124.15 -175.44 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -102.03 51.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.41 ' N ' ' OD1' ' A' ' 118' ' ' ASN . . . -81.7 -51.04 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -79.25 -34.61 42.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.84 -57.03 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.2 m -68.1 -29.89 68.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.87 -38.72 83.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.03 -52.88 36.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.32 -46.96 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.469 ' HG3' ' CD2' ' A' ' 172' ' ' TYR . 38.0 tt0 -55.03 -51.57 65.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.19 -28.05 63.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.09 -34.66 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 96.8 m -49.92 -46.91 52.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.4 m -90.05 -52.42 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -179.21 -146.13 6.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 150.33 68.06 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.254 . . . . 0.0 112.319 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 60.6 p -63.76 166.51 7.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 8.4 t -68.52 -45.05 73.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.99 165.76 23.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 16.9 mt -89.67 123.22 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.794 0.331 . . . . 0.0 111.122 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.3 -41.68 89.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 161.86 -110.64 0.44 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -104.01 169.37 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 147.74 131.4 2.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.8 m -101.55 101.99 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.7 m -75.25 94.61 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 42.16 61.52 2.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 56.0 m -95.3 42.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.806 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 10.9 t -147.05 169.58 18.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -149.23 80.5 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.2 t -54.41 -57.04 12.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.4 t -102.3 -44.6 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 99.78 147.05 20.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.4 m -126.07 127.42 45.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.831 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.6 m -61.93 108.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 136.45 -128.74 4.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -114.57 129.19 56.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 157' ' ' VAL . . . -114.87 163.3 15.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . 39.15 27.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 155' ' ' ALA . 99.1 t -42.94 127.24 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 5.7 t -64.13 142.62 98.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.579 0.704 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -5.92 17.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -50.94 25.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.49 -38.03 74.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -62.93 -35.83 81.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -69.04 -56.11 8.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 48.9 mt -47.81 -52.82 17.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 67.8 m -48.55 -47.74 39.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt -55.3 -30.68 60.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 45.3 mmm -73.63 -43.15 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -82.14 -2.33 51.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -95.25 -71.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -112.06 -33.8 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 85.07 -172.43 47.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.469 ' CD2' ' HG3' ' A' ' 127' ' ' GLN . 10.0 t80 -118.43 117.7 29.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.346 . . . . 0.0 110.902 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -99.3 113.71 26.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -53.88 116.25 9.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.682 0.753 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -9.41 26.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.314 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 177' ' ' TYR . 12.6 t -88.6 -29.44 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . 0.454 ' N ' HG23 ' A' ' 176' ' ' THR . 0.4 OUTLIER -110.34 65.35 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . 0.452 ' HG3' ' CE1' ' A' ' 180' ' ' PHE . 17.4 ttmm -76.15 90.82 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -130.08 38.12 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.452 ' CE1' ' HG3' ' A' ' 178' ' ' LYS . 48.0 p90 -111.47 157.41 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -130.35 65.43 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.91 -37.68 15.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 25.1 mtp -51.77 161.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.435 ' HG2' ' N ' ' A' ' 185' ' ' ASN . 18.3 tt0 -156.84 151.1 25.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . 0.435 ' N ' ' HG2' ' A' ' 184' ' ' GLN . 1.8 m-80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 p -41.26 129.19 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.842 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -119.76 129.79 54.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.16 -159.98 9.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -100.02 -48.57 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 0.0 110.876 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 t -76.5 -48.12 20.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.82 178.2 52.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.486 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 175.92 7.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.31 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.7 p -101.14 125.68 37.28 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.585 0.707 . . . . 0.0 111.157 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 103.51 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.741 2.294 . . . . 0.0 112.305 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -156.05 137.79 14.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.3 p -130.6 102.07 5.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -116.73 155.61 28.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.01 121.15 29.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 16' ' ' GLN . 47.3 t -125.13 155.54 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' N ' ' CG1' ' A' ' 15' ' ' VAL . 32.2 mt-30 -102.94 113.45 26.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -94.51 119.06 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -108.13 124.46 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.46 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 8.7 tpp85 -65.58 123.07 18.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 19' ' ' ARG . 18.1 m -159.45 163.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -104.1 151.25 23.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -103.38 108.91 20.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.56 HD21 ' CH2' ' A' ' 53' ' ' TRP . 5.5 mp -73.35 -42.89 61.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.89 -172.68 30.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.495 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 25.9 ttp -116.75 138.33 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.421 ' CD1' ' O ' ' A' ' 27' ' ' PRO . 0.7 OUTLIER -142.91 117.79 6.43 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.421 ' O ' ' CD1' ' A' ' 26' ' ' LEU . 53.7 Cg_endo -69.79 152.1 69.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.266 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.5 m -123.21 175.36 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -108.73 -31.04 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -113.31 145.67 33.71 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.528 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.3 Cg_endo -69.78 -29.94 22.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.4 m -138.47 153.48 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.3 108.99 0.99 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.8 mmt -53.11 -48.02 68.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -49.69 -26.02 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 87.3 m -94.51 -44.41 7.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 tt -55.45 -47.43 76.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -70.23 -41.73 73.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.6 t -52.33 -19.6 2.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.92 -27.82 19.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.448 ' CD1' ' HA3' ' A' ' 91' ' ' GLY . 51.2 mt -65.75 -55.57 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -55.1 -51.43 66.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -39.1 -48.22 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 mt -74.52 -54.98 6.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.422 ' HG2' ' CD2' ' A' ' 23' ' ' LEU . 6.0 mtt -42.28 -42.05 2.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.4 p -63.54 -47.69 80.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.165 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.4 t -63.61 -69.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.3 m -90.15 145.65 24.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 m -96.43 164.09 12.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.811 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.0 tptp -43.89 -50.3 8.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.36 -28.23 66.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.7 -26.42 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.56 ' CH2' HD21 ' A' ' 23' ' ' LEU . 2.0 m0 -79.78 117.23 66.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.55 0.691 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 155.88 64.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.737 2.292 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 p -89.59 114.8 26.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.4 m -121.36 179.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -120.31 130.98 54.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.5 ttm -86.98 98.13 11.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.459 ' ND2' HG13 ' A' ' 68' ' ' ILE . 9.4 m-80 -81.64 94.95 7.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 66.2 t -96.32 101.01 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.93 174.28 6.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.074 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -41.23 99.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 54.96 46.14 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 65' ' ' VAL . 23.9 m -158.79 143.64 16.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.438 ' N ' HG23 ' A' ' 64' ' ' THR . 75.5 t -136.58 105.32 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.442 ' CG2' HG21 ' A' ' 76' ' ' VAL . 56.0 m -111.35 148.28 33.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.486 HG23 ' CZ ' ' A' ' 113' ' ' PHE . 40.2 t -107.86 125.18 64.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.459 HG13 ' ND2' ' A' ' 59' ' ' ASN . 32.1 mt -122.44 143.33 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -71.54 119.44 15.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -43.26 -26.36 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -77.94 -66.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 73' ' ' GLU . 64.4 t-20 -101.7 144.8 29.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.493 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 4.3 mp0 -82.0 -60.48 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -54.03 -19.52 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -67.7 88.57 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.442 HG21 ' CG2' ' A' ' 66' ' ' THR . 10.5 p -91.02 105.23 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.6 mt -70.93 -61.3 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.5 t -127.63 152.4 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -132.86 95.65 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.8 t -107.43 147.93 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 82' ' ' VAL . 23.6 mtt-85 -127.58 119.4 25.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 81' ' ' ARG . 44.6 t -34.66 -61.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -39.14 -43.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 85' ' ' LEU . 38.8 m-85 -72.92 -40.48 65.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 84' ' ' PHE . 2.2 tt -35.58 122.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 81.3 p -92.13 -42.52 9.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -160.2 134.98 7.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.8 ptp -128.28 144.28 51.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -158.08 -167.88 19.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 62.2 t -126.93 129.16 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.381 . . . . 0.0 111.111 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 41' ' ' ILE . . . -54.84 -171.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -54.65 -29.14 51.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.18 133.48 52.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.7 m -60.33 -23.24 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -68.19 -20.45 64.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.6 p -96.01 150.82 20.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -147.86 113.33 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -121.99 152.95 39.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -144.62 137.76 26.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.5 mt -99.62 116.81 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.5 ptm -109.4 162.8 14.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -114.78 108.75 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.7 p -92.07 -46.59 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.179 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.1 -126.26 2.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -52.89 -174.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.325 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.444 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 29.9 mt-30 -47.38 -19.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 107' ' ' ARG . 6.0 ptm180 -63.39 114.57 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 5.5 m-85 -110.99 148.69 31.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -106.64 126.53 52.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.4 t -104.2 104.61 14.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.495 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 86.3 m-70 -96.85 130.68 44.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.5 144.56 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.486 ' CZ ' HG23 ' A' ' 67' ' ' VAL . 77.9 m-85 -143.1 124.89 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -73.31 117.63 15.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 74.4 m -91.6 161.17 15.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 14.5 mt-10 -147.15 127.95 7.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.714 . . . . 0.0 110.909 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.3 Cg_endo -69.75 -46.45 0.36 Allowed 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.362 -0.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.33 -175.71 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -100.7 40.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.99 -52.29 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -67.28 -53.72 27.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 80.6 t -53.42 -57.53 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.3 p -56.88 -39.11 73.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -62.97 -42.34 99.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.95 88.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 127' ' ' GLN . 7.3 p -70.91 -41.22 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.425 ' N ' HG12 ' A' ' 126' ' ' VAL . 40.2 tt0 -59.07 -50.47 73.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.54 90.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.97 -47.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 71.7 m -41.9 -45.72 3.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 90.9 p -91.15 -50.7 5.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 110.48 145.96 10.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 133.73 26.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.331 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.1 m -105.35 -59.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 23.2 t -127.51 -44.74 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 78.8 95.34 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 47.8 mm -43.08 109.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 111.138 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.68 116.53 12.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 169.75 78.81 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.448 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -92.71 131.28 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 97.68 164.36 31.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.8 p -151.2 153.96 35.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.86 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.0 t -149.27 173.62 13.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 173.82 116.31 0.42 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 72.8 p -112.2 42.63 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.363 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.9 t -63.68 114.82 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -50.72 159.56 1.69 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.519 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 80.7 p -98.69 146.53 25.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 110.862 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 58.3 p -87.51 -49.21 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 177.01 -72.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.1 p -123.49 2.16 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.826 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 32.0 p -113.77 -49.99 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 68.76 -104.96 1.33 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -151.47 -175.93 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.34 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -166.04 144.81 5.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -164.6 109.52 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 59.2 t -70.08 121.79 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 13.7 t -53.23 141.19 41.99 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.644 0.735 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 6.0 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.718 2.279 . . . . 0.0 112.353 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.23 -49.02 10.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.41 -41.1 63.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 30.3 ttt-85 -48.38 -51.64 25.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -71.55 -48.25 49.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 19.5 mt -46.41 -43.87 16.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 4.3 m -53.89 -55.34 27.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -43.16 -44.02 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 9.7 mtp -61.36 -40.8 95.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.12 -23.03 57.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -77.84 -73.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -102.31 -35.2 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 87.88 -160.42 31.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -132.71 122.89 25.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -105.38 107.23 18.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -38.71 125.63 1.17 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -36.49 10.63 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.634 2.223 . . . . 0.0 112.378 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 177' ' ' TYR . 1.8 t -66.31 -33.23 75.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . 0.453 ' N ' HG22 ' A' ' 176' ' ' THR . 0.3 OUTLIER -96.15 91.73 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.95 136.23 47.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.529 ' O ' ' CG ' ' A' ' 179' ' ' PHE . 57.9 t80 -128.96 50.03 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -93.32 157.69 16.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 182' ' ' GLN . 48.5 mt-10 -99.5 17.73 19.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 181' ' ' GLU . 14.6 mm-40 -31.18 -73.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 7.9 mtt -38.09 153.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -61.57 166.03 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -120.4 126.87 51.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -95.33 -56.89 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.812 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.07 -167.2 24.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 m -94.85 139.87 30.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 m -128.06 -43.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.75 -166.45 29.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 139.93 41.58 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.6 p -48.21 132.59 12.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 130.01 18.7 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -100.37 166.72 10.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.9 t -131.35 126.84 36.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -116.42 -178.75 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.16 136.78 37.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.21 150.53 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -124.9 145.27 49.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -107.39 158.73 16.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -137.74 125.84 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -66.81 110.24 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -149.02 -175.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -123.73 165.89 16.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -117.34 115.29 24.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 4.8 mp -80.23 -43.92 20.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.34 178.42 27.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 26' ' ' LEU . 11.6 tmm? -106.05 138.99 41.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.482 ' N ' ' SD ' ' A' ' 25' ' ' MET . 0.3 OUTLIER -140.64 117.34 7.8 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.608 0.718 . . . . 0.0 110.952 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.448 ' N ' HD11 ' A' ' 26' ' ' LEU . 53.5 Cg_endo -69.76 148.96 66.23 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.74 139.22 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -89.27 -1.51 58.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 mmt-85 -126.46 132.83 24.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.726 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -28.92 24.46 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.631 2.221 . . . . 0.0 112.327 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.33 -175.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.122 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.02 113.79 3.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.6 mmt -61.02 -30.77 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.44 -17.24 63.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.7 m -98.23 -45.3 6.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tt -59.15 -50.73 72.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -64.45 -32.14 73.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.2 t -63.88 -20.42 65.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.59 -19.14 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.7 mt -75.09 -61.89 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -53.12 -35.51 59.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -55.56 -39.07 70.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.8 mt -81.95 -44.63 16.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 mtt -55.6 -46.26 77.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.9 p -60.52 -35.14 75.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 t -73.88 -66.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.0 m -103.68 154.66 19.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.7 m -95.39 175.37 6.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 13.3 tptm -57.92 -51.05 71.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -67.45 -19.72 65.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.69 -23.44 56.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.553 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 12.0 m0 -76.87 120.53 82.06 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.582 0.705 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 131.14 20.68 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.756 2.304 . . . . 0.0 112.31 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.2 m -68.86 122.99 19.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.0 m -132.16 -175.38 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -124.32 124.03 41.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.42 ' HE3' ' CD1' ' A' ' 113' ' ' PHE . 29.7 ttm -87.24 107.13 18.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -91.08 116.3 28.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.3 t -117.85 101.88 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -81.67 -176.07 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -45.91 -70.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.43 ' C ' HG21 ' A' ' 82' ' ' VAL . . . -118.64 43.13 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 61' ' ' ALA . 4.7 m -160.66 149.24 16.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.123 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.6 t -133.44 100.11 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.0 m -102.54 149.05 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.402 HG13 ' CD1' ' A' ' 77' ' ' LEU . 53.3 t -113.32 117.75 56.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 40.4 mt -112.13 149.12 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 75' ' ' GLU . 5.2 t -91.06 148.8 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.73 -21.71 65.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -67.27 -61.01 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -127.05 134.86 50.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.42 -25.81 67.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.25 1.96 53.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.472 ' CD ' ' CB ' ' A' ' 69' ' ' SER . 56.7 tt0 -83.63 82.53 8.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.454 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 10.2 p -79.81 87.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.402 ' CD1' HG13 ' A' ' 67' ' ' VAL . 12.9 mt -52.79 -57.97 8.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.3 t -137.63 154.9 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -128.42 96.16 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.1 t -99.77 147.21 25.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -132.62 132.09 42.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.496 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 3.7 m -53.95 -40.15 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -73.51 2.28 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -123.39 -13.58 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.49 128.7 37.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 t -93.22 -50.68 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -152.19 144.6 24.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.6 ptp -137.8 157.05 47.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.59 173.78 46.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.443 HG11 ' N ' ' A' ' 91' ' ' GLY . 56.3 t -107.53 144.5 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.887 0.375 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.443 ' N ' HG11 ' A' ' 90' ' ' VAL . . . -67.53 -160.82 1.41 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -62.81 -39.92 95.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.772 0.32 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -98.87 138.1 36.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.4 m -64.73 -8.39 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -82.32 -19.38 39.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.44 HG22 ' CE3' ' A' ' 114' ' ' TRP . 59.1 p -98.89 149.09 23.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -149.31 118.76 6.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.29 144.56 51.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -131.48 155.57 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.1 mt -111.7 115.25 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.411 ' SD ' ' C ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -110.36 165.6 11.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.516 ' OD2' ' CE1' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -109.74 117.26 33.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.9 p -81.49 -45.85 15.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.54 -94.51 1.53 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -125.73 -56.91 1.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.71 -43.78 4.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -57.72 109.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.516 ' CE1' ' OD2' ' A' ' 102' ' ' ASP . 9.4 m-85 -111.24 149.28 31.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -114.31 138.98 49.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.3 t -106.64 100.87 10.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -95.56 136.44 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.0 t -123.48 150.31 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.42 ' CD1' ' HE3' ' A' ' 58' ' ' MET . 52.1 m-85 -148.6 133.02 17.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.44 ' CE3' HG22 ' A' ' 96' ' ' THR . 35.5 t-105 -82.57 111.18 18.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 87.9 m -83.34 158.4 22.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 15.6 mt-10 -148.46 127.96 6.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.646 0.736 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.6 Cg_endo -69.8 -49.99 0.21 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.376 0.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.99 -175.76 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -105.97 47.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.462 ' O ' ' CB ' ' A' ' 124' ' ' GLU . . . -85.91 -46.3 10.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -75.94 -40.85 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.97 -66.2 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.6 m -58.74 -11.88 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 120' ' ' ALA . 17.1 tt0 -88.09 -35.76 17.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.73 -35.56 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 127' ' ' GLN . 7.1 p -70.41 -52.22 31.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 128' ' ' ALA . 5.6 pt20 -50.14 -45.17 52.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.452 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . -72.17 -33.15 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.65 -20.77 61.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 85.2 m -76.49 -49.46 16.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.1 t -60.41 -61.03 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -172.92 178.51 44.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -47.88 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.286 . . . . 0.0 112.301 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.7 p -136.8 135.85 38.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 32.3 t -64.85 -47.58 77.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.37 122.67 4.89 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 18.8 mt -104.77 136.07 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -91.11 160.64 15.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -115.07 88.59 0.48 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 165.85 23.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.816 0.341 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 161.84 139.63 2.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.8 t -165.98 144.48 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 80.2 p -147.73 170.93 16.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -169.58 -57.99 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 71.0 m -127.67 141.85 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.8 t -118.79 145.2 45.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 150.43 73.89 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.2 m -135.23 177.2 8.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 0.0 110.846 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.7 p -106.29 138.18 42.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -114.59 -157.52 11.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.52 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.5 m -144.66 134.88 24.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 60.8 p -109.26 97.98 7.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 75.88 75.36 0.86 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -110.37 164.41 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -72.17 139.98 48.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -172.08 108.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 5.6 p -64.64 124.13 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 4.4 t -61.13 143.24 92.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.499 0.666 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -2.55 10.34 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.7 2.266 . . . . 0.0 112.311 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -50.69 7.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -66.29 -35.59 80.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -65.43 -36.68 84.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -75.33 -32.06 60.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 73.7 mt -71.41 -28.54 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 35.3 m -76.24 -58.34 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . 0.537 ' CG ' ' N ' ' A' ' 167' ' ' MET . 5.9 ptmt -39.68 -49.84 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' MET . . . . . 0.537 ' N ' ' CG ' ' A' ' 166' ' ' LYS . 0.0 OUTLIER -50.39 -43.54 54.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -82.44 -15.52 52.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -80.18 -72.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -119.83 -31.23 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 99.65 -145.32 17.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -150.68 109.33 3.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.37 . . . . 0.0 110.944 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -90.21 105.48 17.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 12.6 t-20 -63.22 113.52 9.73 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -38.54 7.65 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 177' ' ' TYR . 5.3 t -38.58 -46.12 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . 0.483 ' N ' ' CG2' ' A' ' 176' ' ' THR . 1.6 t80 -105.91 69.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -106.06 75.71 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -124.3 106.19 10.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -111.51 178.57 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -128.6 68.95 1.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 183' ' ' MET . 1.5 tp60 -107.9 -58.37 1.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' MET . . . . . 0.452 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 29.0 mtt -77.33 148.49 35.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -85.64 127.88 34.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 38.1 t30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -103.62 -50.16 3.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.817 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 p -42.7 -60.67 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.6 164.62 11.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 t -163.66 153.47 14.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.7 p -89.12 -42.83 11.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.28 -114.14 3.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -170.79 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.405 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 24.4 m -131.72 100.81 15.94 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.606 0.717 . . . . 0.0 111.091 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 9' ' ' THR . 53.8 Cg_endo -69.81 161.28 46.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -128.55 163.32 25.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.0 p -125.81 92.21 3.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -46.3 169.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -53.01 105.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.447 HG21 ' N ' ' A' ' 16' ' ' GLN . 7.2 p -121.0 138.4 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' N ' HG21 ' A' ' 15' ' ' VAL . 36.0 mt-30 -104.93 117.34 33.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.4 146.96 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -134.33 134.53 41.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -78.19 111.08 13.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.0 m -142.73 179.82 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -118.23 166.54 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -116.12 107.75 15.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.466 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 5.5 mp -73.63 -42.37 61.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.417 ' C ' HD12 ' A' ' 44' ' ' LEU . . . 149.48 179.68 25.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.6 ' SD ' ' CE1' ' A' ' 111' ' ' HIS . 2.9 tpt -105.62 133.83 49.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.9 116.17 4.12 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.626 0.727 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 159.46 53.31 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.373 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.5 m -126.25 158.72 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -84.62 -38.05 20.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -115.45 143.01 29.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -17.29 37.69 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.8 m -139.47 162.5 26.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.68 102.75 2.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.4 mmt -48.27 -44.56 33.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -49.99 -37.91 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.1 m -82.87 -42.45 17.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.17 -44.04 78.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.1 m-80 -70.01 -48.78 56.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -41.04 -27.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 38' ' ' ASN . . . -83.15 -42.32 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' ASN . 71.3 mt -53.66 -54.85 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -55.92 -50.92 69.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -37.54 -55.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 47' ' ' SER . 13.5 mt -70.94 -51.41 26.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.428 ' HE1' ' CD2' ' A' ' 23' ' ' LEU . 7.9 mmt -36.62 -55.88 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.6 p -59.71 -35.96 75.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' LEU . 7.7 t -62.78 -65.44 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 m -106.38 143.2 34.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.1 m -79.97 161.72 25.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -47.77 -42.02 24.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.66 -35.94 62.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -54.27 -37.2 64.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.466 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 4.6 m0 -61.63 119.43 47.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 132.54 23.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.9 m -66.06 120.38 13.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.1 m -127.0 166.08 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -110.01 121.8 46.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 41.4 ttm -89.23 102.97 15.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.46 ' ND2' HD13 ' A' ' 68' ' ' ILE . 4.2 m-80 -90.91 110.18 21.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.5 t -104.14 101.33 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -95.4 175.95 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -47.0 102.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 56.17 43.52 26.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' ALA . 37.6 m -161.52 138.31 8.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.7 t -128.59 96.51 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.459 ' CG2' HG21 ' A' ' 76' ' ' VAL . 18.0 m -96.79 135.62 38.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.0 t -97.59 110.77 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.46 HD13 ' ND2' ' A' ' 59' ' ' ASN . 96.4 mt -109.5 147.5 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -83.11 160.62 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -39.84 65.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -54.15 -62.19 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -114.45 171.32 7.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -97.89 -44.84 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.52 -37.17 86.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -43.14 100.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG21 ' CG2' ' A' ' 66' ' ' THR . 5.7 p -106.85 88.13 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.092 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.9 mt -55.02 -52.16 64.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.571 HG13 ' CE1' ' A' ' 111' ' ' HIS . 59.2 t -138.99 140.34 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.451 ' N ' HG12 ' A' ' 78' ' ' VAL . 28.6 tt0 -119.19 96.99 5.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.467 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 46.8 t -103.57 148.23 26.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 82' ' ' VAL . 19.6 ttt180 -127.38 121.28 30.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' ARG . 95.5 t -33.6 -61.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -41.82 -46.65 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' ARG . 11.5 m-85 -66.33 -43.09 87.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.4 ' C ' HD22 ' A' ' 85' ' ' LEU . 3.0 tt -40.97 112.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.2 p -78.23 -39.84 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 172' ' ' TYR . 49.8 t80 -165.95 131.26 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 21.7 ptp -114.93 154.15 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.25 165.45 38.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.431 ' CG1' ' HA ' ' A' ' 94' ' ' VAL . 84.1 t -108.89 146.41 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.47 -174.48 38.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -42.9 -47.49 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -94.34 117.02 29.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.431 ' HA ' ' CG1' ' A' ' 90' ' ' VAL . 3.9 m -46.81 -40.85 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.416 ' N ' ' CG2' ' A' ' 94' ' ' VAL . 16.7 m80 -43.01 -37.84 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 27.5 p -75.41 159.45 31.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -158.35 114.75 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.04 153.32 48.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.467 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 42.6 p90 -138.05 140.73 40.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.3 mt -96.16 111.26 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.476 ' CE ' HG21 ' A' ' 103' ' ' THR . 0.6 OUTLIER -111.74 167.36 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -119.85 105.14 10.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.948 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.476 HG21 ' CE ' ' A' ' 101' ' ' MET . 17.2 p -76.61 -50.46 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.78 -122.45 2.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 107' ' ' ARG . 0.8 OUTLIER -58.39 -174.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.309 . . . . 0.0 110.933 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.548 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 0.5 OUTLIER -38.82 -25.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 105' ' ' ASN . 27.8 mtt180 -56.36 108.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.548 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 5.9 m-85 -109.02 141.53 41.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -109.7 145.57 36.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.8 t -120.38 112.57 19.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.6 ' CE1' ' SD ' ' A' ' 25' ' ' MET . 88.4 m-70 -95.57 128.14 42.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.6 t -108.48 136.46 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.442 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 55.7 m-85 -142.29 125.11 16.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -76.21 127.47 32.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 68.0 m -104.98 143.75 32.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 13.2 mp0 -129.48 131.37 23.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.681 0.753 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.6 Cg_endo -69.76 -47.87 0.29 Allowed 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.325 -0.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.24 -178.95 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -96.17 44.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 124' ' ' GLU . . . -81.56 -49.94 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -72.94 -56.35 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.7 t -49.01 -56.94 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 t -62.92 -38.6 91.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 120' ' ' ALA . 21.5 tt0 -63.57 -32.07 73.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.3 -58.0 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.33 -44.01 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -60.89 -45.77 93.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.76 -48.81 73.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.29 -42.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 91.3 m -51.62 -49.64 61.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 t -48.27 -43.91 33.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.53 160.14 27.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 0.41 5.68 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.8 m -38.57 147.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 34.0 t -112.38 117.15 31.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 158.24 98.9 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.42 122.68 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.88 138.91 32.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 179.67 37.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.538 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 137.15 47.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 110.838 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 142' ' ' SER . . . 150.09 -42.66 0.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.471 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 141' ' ' GLY . 43.4 p -35.36 109.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.871 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.3 m -153.51 118.05 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.19 -146.2 18.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.8 t -100.75 175.88 5.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 31.9 t -162.77 166.07 24.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -120.1 179.96 16.47 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 50.4 m -144.25 171.53 14.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.384 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 58.3 p -142.01 173.88 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 175.22 -136.87 3.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 62.0 m 52.72 41.89 31.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 15.1 t -37.7 148.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 174.12 51.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -166.21 176.22 7.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -73.36 162.87 28.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -160.66 105.55 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 158' ' ' THR . 13.2 p -52.2 143.64 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.421 ' N ' HG21 ' A' ' 157' ' ' VAL . 8.7 t -71.06 142.07 87.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.533 0.683 . . . . 0.0 111.187 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -11.52 31.04 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.727 2.284 . . . . 0.0 112.352 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -70.3 -43.64 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.74 -52.69 23.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -47.16 -49.76 21.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -58.66 -69.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 10.5 mt -40.86 -39.41 1.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 6.1 m -65.66 -47.78 74.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -59.05 -27.85 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 96.9 mmm -72.09 -53.35 13.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -70.97 -23.79 62.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -72.8 -66.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -113.77 -30.93 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 79.72 -159.1 43.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.537 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 69.4 t80 -136.55 144.64 44.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -118.03 122.63 43.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.479 ' ND2' ' CG2' ' A' ' 176' ' ' THR . 24.6 t30 -64.79 119.54 58.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.653 0.74 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -41.98 3.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.639 2.226 . . . . 0.0 112.338 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.479 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 5.5 t -48.78 -24.11 1.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.86 58.27 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . 0.41 ' HG3' ' CE1' ' A' ' 180' ' ' PHE . 7.3 ttmm -86.55 40.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -98.53 36.38 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.41 ' CE1' ' HG3' ' A' ' 178' ' ' LYS . 46.3 p90 -107.04 172.96 6.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -130.6 68.75 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -108.78 -46.14 3.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 55.4 mmm -68.27 155.02 40.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -114.89 132.28 56.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 41.7 t30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -142.48 156.58 45.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -168.84 139.43 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.67 42.55 0.13 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -98.15 171.19 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -143.45 135.1 26.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' HD3' ' A' ' 10' ' ' PRO . . . -153.35 77.69 0.21 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.546 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 9' ' ' THR . 53.9 Cg_endo -69.74 83.9 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.436 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 24.5 m 34.63 54.43 1.72 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.573 0.701 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 9' ' ' THR . 54.2 Cg_endo -69.69 84.56 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -62.94 169.2 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.1 m -83.77 105.04 14.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -82.82 173.94 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -74.71 105.19 5.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 16' ' ' GLN . 7.3 p -127.47 149.88 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.17 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' N ' HG22 ' A' ' 15' ' ' VAL . 38.0 mt-30 -116.97 121.68 42.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -90.92 143.92 26.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -135.38 129.96 34.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -74.07 120.82 20.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -152.36 -178.6 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -121.04 155.23 34.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -106.7 118.17 35.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.519 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 6.3 mp -82.76 -43.23 17.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.19 -176.13 30.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.7 ttp -111.41 134.74 52.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.13 116.83 8.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.649 0.737 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 151.08 69.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.5 m -121.82 168.27 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.82 -39.91 8.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -110.13 144.03 29.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.657 0.742 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.523 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.79 -25.22 28.7 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.4 m -135.34 150.92 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.77 98.03 0.78 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.6 mmt -44.27 -45.58 8.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.89 -42.66 48.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.1 m -73.11 -42.0 63.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.183 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tt -59.33 -45.94 89.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -63.11 -39.7 95.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 t -57.77 -17.34 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.23 -33.53 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.125 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.06 -55.41 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 44' ' ' LEU . 38.4 mt-10 -57.9 -57.25 13.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLU . 39.0 m-20 -36.23 -29.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 42' ' ' GLU . 50.3 mt -90.26 -40.51 12.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 42' ' ' GLU . 4.0 mtt -63.88 -43.98 94.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 t -61.09 -27.28 68.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.9 p -86.3 -63.22 1.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.9 m -97.37 147.61 24.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.51 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 3.0 m -92.03 170.02 10.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.509 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 30.7 tttt -55.03 -41.9 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -71.94 -31.93 66.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.25 -28.03 68.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.519 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 2.0 m0 -76.39 114.18 35.75 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.544 0.688 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.95 20.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 m -95.25 125.0 39.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.0 m -133.67 156.96 42.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -98.55 120.01 38.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.6 ttm -87.61 105.58 17.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -89.94 97.5 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.7 t -97.0 99.1 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.15 -179.78 6.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -49.3 -63.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -123.56 36.36 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 m -154.36 151.14 28.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 83.4 t -134.44 98.81 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.45 ' CG2' HG13 ' A' ' 76' ' ' VAL . 12.0 m -102.97 147.72 26.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.435 ' N ' HG23 ' A' ' 66' ' ' THR . 54.7 t -112.33 117.13 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.416 ' CG2' ' HA ' ' A' ' 73' ' ' GLU . 93.6 mt -111.77 127.94 68.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -66.85 126.5 29.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -43.8 -28.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -55.51 -62.62 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -131.33 163.16 28.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.416 ' HA ' ' CG2' ' A' ' 68' ' ' ILE . 30.0 tt0 -85.01 -27.09 26.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.84 -4.29 58.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -87.43 96.73 10.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.45 HG13 ' CG2' ' A' ' 66' ' ' THR . 81.7 t -95.99 95.9 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.54 -39.93 92.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 79' ' ' GLU . 99.4 t -150.54 144.9 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.447 ' N ' HG12 ' A' ' 78' ' ' VAL . 23.2 tt0 -124.54 100.64 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.8 t -107.01 148.11 29.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' PHE . 17.5 mtp85 -128.64 120.99 27.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.437 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 98.9 t -38.15 -38.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -63.9 -43.53 95.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 81' ' ' ARG . 34.5 m-85 -72.67 -37.23 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.445 ' O ' ' CG ' ' A' ' 174' ' ' ASN . 1.3 tt -42.58 137.94 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.7 p -105.22 -44.5 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -160.18 145.1 14.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.5 ptp -135.83 146.87 47.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -163.14 -178.0 36.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.436 HG11 ' N ' ' A' ' 91' ' ' GLY . 76.4 t -119.9 140.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.436 ' N ' HG11 ' A' ' 90' ' ' VAL . . . -74.48 -179.63 41.86 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -41.62 -46.12 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.747 0.308 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -92.17 123.47 35.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.2 m -60.81 -19.66 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -66.66 -19.52 65.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.1 p -99.09 160.82 13.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -154.13 116.06 4.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -122.83 157.22 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 5.1 p90 -153.19 138.54 17.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.3 mt -96.76 118.56 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.5 ptm -108.3 159.38 16.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -99.42 117.63 34.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.0 p -116.49 39.79 3.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.97 -131.07 7.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.416 ' C ' ' N ' ' A' ' 107' ' ' ARG . 73.3 m-20 -57.0 -174.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.448 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 17.3 mt-30 -44.06 -22.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 107' ' ' ARG . 6.0 ptm180 -57.98 115.52 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 6.4 m-85 -120.14 142.38 48.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -109.86 131.91 54.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 32.7 t -107.62 111.07 23.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.494 ' HB3' ' CE1' ' A' ' 113' ' ' PHE . 93.5 m-70 -91.8 134.27 34.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.825 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' A' ' 44' ' ' LEU . 7.8 t -111.59 134.92 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.494 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 41.3 m-85 -137.11 133.93 35.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -85.94 120.42 27.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 66.2 m -101.9 155.21 18.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.499 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.1 mm-40 -140.99 131.68 13.42 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.672 0.749 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.4 Cg_endo -69.76 -45.94 0.39 Allowed 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.361 -0.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.34 178.08 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.51 46.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.27 -64.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -58.84 -50.55 73.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.2 t -54.29 -55.64 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.3 p -60.45 -40.13 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -61.59 -41.47 97.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.0 -54.08 39.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 127' ' ' GLN . 6.3 p -60.54 -47.32 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.419 ' N ' HG12 ' A' ' 126' ' ' VAL . 22.9 tt0 -51.38 -59.84 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.09 -41.51 75.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.85 -38.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 69.0 m -67.04 -63.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.1 p -49.5 -51.44 36.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.75 109.85 1.88 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -29.2 24.06 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.247 . . . . 0.0 112.302 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.1 m -71.64 162.06 30.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.7 t 59.37 44.56 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -139.96 152.11 22.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.4 mp -69.55 119.28 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -109.55 139.84 44.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 164.58 150.53 6.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -130.67 153.69 48.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -87.06 151.62 23.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.7 t -158.55 146.85 18.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 32.6 t -103.46 -59.84 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 116.42 -109.27 1.93 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.543 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.9 m -81.68 118.33 22.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.7 t -143.49 176.61 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -179.48 -152.54 10.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.7 m 43.96 48.75 7.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 110.863 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 26.6 p -85.79 177.85 7.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 161.08 108.05 0.23 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 99.4 p -145.96 167.08 24.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.9 t -144.97 114.85 7.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.7 164.85 22.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -165.15 112.49 0.99 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.84 0.353 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -144.09 133.62 23.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -168.1 110.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 11.9 p -66.19 127.46 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 15.1 t -53.22 141.14 42.16 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.526 0.679 . . . . 0.0 111.18 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 6.73 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -80.0 -57.26 3.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 162' ' ' ARG . 6.4 pt-20 -67.15 -39.99 86.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.45 ' N ' ' HG3' ' A' ' 161' ' ' GLU . 34.5 ttp180 -61.81 -44.6 96.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -71.58 -38.86 70.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.34 -38.09 79.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 89.3 p -64.37 -58.42 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -38.82 -40.25 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.9 mtp -67.96 -49.95 58.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.25 -16.83 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -83.0 -73.32 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -105.3 -48.05 3.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 90.8 176.12 44.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.541 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -104.13 122.61 45.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -100.64 94.46 6.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 6.8 t-20 -38.35 100.01 0.2 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.631 0.729 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 176' ' ' THR . 53.4 Cg_endo -69.72 -49.3 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.735 2.29 . . . . 0.0 112.309 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 175' ' ' PRO . 6.8 t -33.19 -45.2 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . 0.436 ' N ' HG22 ' A' ' 176' ' ' THR . 1.2 t80 -72.75 94.51 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -52.98 -174.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 60.94 49.91 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -115.81 164.1 14.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -121.57 65.48 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 183' ' ' MET . 17.9 pt20 -49.38 -42.43 42.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' MET . . . . . 0.424 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 3.2 mmt -81.7 161.41 23.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -123.41 161.62 24.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.8 p -124.99 -51.17 1.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.826 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p 39.34 43.94 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.05 -175.63 47.86 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.539 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -162.41 121.91 2.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 p -110.27 132.06 54.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.0 -93.21 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 163.98 36.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.652 2.234 . . . . 0.0 112.346 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.1 m -132.31 107.37 13.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.5 69.43 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.732 2.288 . . . . 0.0 112.322 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.61 43.82 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m 50.58 46.94 25.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -53.9 154.93 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.53 110.85 23.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.8 p -125.97 158.64 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -109.04 135.34 50.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.78 146.07 41.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -132.85 142.94 49.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.405 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -78.84 122.25 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 19' ' ' ARG . 5.7 m -157.25 178.52 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -119.66 162.67 18.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -114.62 115.36 27.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.513 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 4.4 mp -85.61 -32.11 22.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.63 -168.59 25.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -122.33 137.47 54.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.758 0.313 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.28 116.66 9.48 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.579 0.704 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 150.28 67.83 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.632 2.221 . . . . 0.0 112.296 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.4 m -123.37 159.06 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -91.38 -37.92 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -110.88 144.06 29.55 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.738 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.524 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.74 -30.6 22.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.2 m -122.01 -177.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.9 106.24 2.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.414 ' CE ' ' HA3' ' A' ' 89' ' ' GLY . 4.6 mmt -57.16 -29.1 63.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.308 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.14 -23.66 64.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.1 m -88.3 -49.65 6.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.153 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.63 -52.23 66.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -58.88 -26.54 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 t -69.56 -27.47 65.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.16 -26.12 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 59.4 mt -66.63 -57.25 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 44' ' ' LEU . 14.1 mt-10 -57.68 -54.12 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' GLU . 61.1 m-20 -36.35 -34.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' GLU . 32.3 mt -87.14 -53.41 4.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 48' ' ' SER . 6.1 mtt -47.81 -45.26 29.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.7 t -63.98 -26.8 68.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.7 t -81.67 -63.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' MET . 4.6 m -97.83 157.6 15.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.54 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.5 m -97.2 173.2 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 23.6 tttm -62.32 -48.66 78.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.65 -21.79 61.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -73.59 -21.68 60.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.553 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 18.9 m0 -73.71 118.37 68.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.696 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 135.32 30.2 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.1 p -64.39 127.68 32.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.6 m -138.46 150.09 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.85 119.62 36.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.54 ' HE2' ' CD1' ' A' ' 113' ' ' PHE . 21.3 tpp -82.9 114.03 20.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -100.6 123.84 45.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.1 t -122.59 98.99 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -95.69 -178.39 4.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -49.99 110.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 48.16 39.98 12.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 61' ' ' ALA . 33.6 m -157.99 139.47 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.0 t -131.15 102.25 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -103.27 141.16 36.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.414 HG21 ' CE2' ' A' ' 113' ' ' PHE . 45.6 t -103.1 110.49 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.417 ' CG2' ' O ' ' A' ' 73' ' ' GLU . 83.6 mt -106.15 142.54 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 75' ' ' GLU . 13.2 t -73.91 157.11 36.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -80.06 -38.87 30.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -69.42 -40.41 77.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.428 ' HB3' ' CB ' ' A' ' 75' ' ' GLU . 50.8 t-20 -124.44 145.09 49.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.417 ' O ' ' CG2' ' A' ' 68' ' ' ILE . 32.4 mt-10 -83.08 -68.47 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.67 -24.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' CB ' ' HB3' ' A' ' 72' ' ' ASN . 61.1 tt0 -57.59 97.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.8 p -95.52 86.82 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.0 mt -50.07 -54.08 22.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 79' ' ' GLU . 78.2 t -140.12 157.17 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.443 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 41.6 tt0 -133.65 99.77 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.475 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 43.0 t -109.99 148.04 32.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' VAL . 16.2 mtp85 -125.01 121.41 34.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' ARG . 96.6 t -36.14 -57.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -47.89 -46.1 31.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -65.62 -35.29 80.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 tt -45.74 129.7 9.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.7 p -98.71 -40.01 8.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -160.22 134.02 7.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 9.9 ptp -126.96 138.82 53.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.414 ' HA3' ' CE ' ' A' ' 34' ' ' MET . . . -150.32 -173.5 20.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.1 t -127.9 128.41 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.96 175.78 0.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -53.55 -17.53 2.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -110.25 131.3 55.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.6 m -64.07 -14.59 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -83.31 -5.94 59.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 76.7 p -109.75 148.82 30.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -153.79 112.99 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -120.56 161.36 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.475 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 8.7 p90 -149.0 140.92 23.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mt -102.33 114.66 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.0 ptm -105.74 160.57 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.51 116.01 28.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.7 p -111.99 41.18 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 156.65 -121.87 1.12 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -108.9 -65.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.555 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 28.9 mt-30 -108.38 -40.46 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -60.3 123.28 16.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.555 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 5.4 m-85 -124.73 142.55 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -108.5 152.85 24.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 15.2 t -128.74 120.9 27.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 96.6 m-70 -102.62 135.84 43.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.2 t -111.73 137.05 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.54 ' CD1' ' HE2' ' A' ' 58' ' ' MET . 21.8 m-85 -140.15 128.74 22.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 38.4 t-105 -84.5 114.22 21.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 97.5 m -86.66 165.49 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.469 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 22.1 mt-10 -150.79 126.72 5.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.634 0.731 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.4 Cg_endo -69.79 -48.88 0.25 Allowed 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.38 -0.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.53 -176.91 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -100.12 43.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -79.43 -61.88 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -62.71 -44.22 96.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 83.6 t -57.8 -48.4 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.0 t -75.79 -12.08 60.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.48 -38.42 20.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.8 -41.67 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.4 p -71.11 -41.82 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -58.3 -57.57 12.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.3 -32.42 73.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -51.75 -43.11 62.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 93.6 m -54.63 -40.16 68.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -70.73 -50.69 33.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 118.37 160.8 11.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.45 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 91.7 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.659 2.24 . . . . 0.0 112.365 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.4 t -90.04 167.7 12.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 54.5 p -103.11 147.11 27.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.7 150.66 47.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 138' ' ' GLU . 54.6 mt -60.34 116.69 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 111.134 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 137' ' ' ILE . 17.0 mm-40 -35.64 111.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -134.69 109.07 0.75 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.522 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -99.92 86.2 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -79.0 137.77 19.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.442 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.2 t -133.94 159.93 39.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.901 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 144' ' ' GLY . 2.3 m -73.41 -46.74 46.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 143' ' ' SER . . . 35.26 -130.15 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.8 m -82.79 168.92 16.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.381 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 27.6 t -103.78 149.29 25.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.921 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 147.84 56.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.9 m -138.64 119.29 14.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 67.7 m -159.35 170.74 21.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 138.3 118.34 1.64 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.2 t -143.32 155.72 44.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.371 . . . . 0.0 110.864 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.3 t -134.05 121.82 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -117.65 61.7 0.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -137.18 166.82 22.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.39 139.42 57.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -163.88 108.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.035 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 6.1 p -43.19 130.59 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 6.4 t -66.78 142.57 97.56 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.556 0.693 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 0.99 4.85 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -80.23 -54.22 5.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -61.66 -36.56 81.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -59.93 -33.31 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -62.16 -69.54 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 4.2 mp -40.75 -43.86 2.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 2.3 m -48.38 -42.51 31.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -65.83 -38.44 88.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 41.1 mmm -62.68 -35.6 80.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -87.24 -16.28 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -76.94 -72.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -110.15 -30.61 7.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 86.88 -169.44 40.5 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -131.96 123.9 28.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.883 0.373 . . . . 0.0 110.901 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -106.8 105.51 15.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.459 ' ND2' HG23 ' A' ' 176' ' ' THR . 28.7 t30 -42.16 122.62 2.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.655 0.741 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -50.54 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.459 HG23 ' ND2' ' A' ' 174' ' ' ASN . 5.3 t -53.25 -40.1 64.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -107.25 119.76 40.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -144.07 123.09 12.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.402 ' CD2' ' HG3' ' A' ' 31' ' ' PRO . 8.3 t80 -84.19 -51.44 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.92 173.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 183' ' ' MET . 2.3 pt-20 -132.02 70.44 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 181' ' ' GLU . 7.8 pt20 32.75 34.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 181' ' ' GLU . 2.4 mmm -94.4 143.5 26.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -46.81 160.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.6 m -151.14 173.74 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -108.44 90.55 3.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.14 140.5 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -169.38 114.39 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 110.819 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -132.72 174.15 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.99 150.46 5.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 160.66 48.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.5 t -41.03 144.15 0.67 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.605 0.716 . . . . 0.0 111.126 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 92.56 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.729 2.286 . . . . 0.0 112.343 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -89.24 106.23 18.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.8 m -153.53 122.39 6.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -96.65 149.9 21.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 15' ' ' VAL . 4.6 tt -46.06 146.65 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.471 ' N ' HD22 ' A' ' 14' ' ' LEU . 12.9 p -131.18 153.08 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -102.86 134.12 46.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.9 142.1 34.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -122.31 155.48 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -92.57 111.21 22.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.8 m -147.63 178.12 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -119.11 155.43 31.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -105.51 116.85 32.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.548 HD21 ' CZ2' ' A' ' 53' ' ' TRP . 6.0 mp -85.07 -36.13 21.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.54 -169.38 25.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.8 ttp -120.38 138.85 53.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.3 118.04 8.24 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.597 0.713 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 148.74 66.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.262 . . . . 0.0 112.383 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.5 m -121.16 -177.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.64 -43.71 3.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -99.03 141.55 23.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -17.07 37.83 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.423 HG11 ' CG ' ' A' ' 173' ' ' GLU . 16.4 m -143.51 176.3 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.98 106.93 3.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.82 -34.04 51.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -63.61 -32.41 73.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.8 m -79.66 -45.56 18.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.6 tt -61.04 -47.65 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -61.16 -34.6 75.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.411 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 5.0 t -63.26 -17.23 62.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.73 -24.49 19.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.8 mt -71.32 -57.56 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -56.54 -46.13 80.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 39' ' ' SER . 62.5 m-20 -41.04 -45.4 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 47' ' ' SER . 10.8 mt -80.28 -57.57 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.465 ' HG2' ' CD2' ' A' ' 23' ' ' LEU . 4.8 mtt -39.87 -31.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.5 p -77.09 -43.01 35.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' LEU . 72.8 m -61.98 -57.56 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.1 m -106.54 158.24 17.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.449 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 12.8 m -96.11 177.4 5.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.557 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 18.9 tptp -62.71 -39.84 95.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.21 -26.21 55.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -69.94 -20.2 63.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.557 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 14.1 m0 -78.84 114.64 45.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.515 0.674 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 149.15 66.02 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.232 . . . . 0.0 112.31 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -78.94 127.95 32.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.1 m -135.57 155.66 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -98.01 116.01 29.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.5 ' HE1' ' CD1' ' A' ' 113' ' ' PHE . 24.2 tpp -84.17 114.9 22.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -98.8 115.89 29.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.1 t -113.15 100.48 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.13 -175.14 4.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -50.64 -61.87 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.86 32.24 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.7 m -149.17 156.14 41.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 86.0 t -136.79 114.78 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 m -114.54 147.89 38.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.8 t -109.12 109.93 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.0 mt -106.36 136.71 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.5 t -63.65 144.44 57.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' C ' ' CD ' ' A' ' 70' ' ' GLU . 5.7 tm-20 -60.18 -39.13 85.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -72.13 -73.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -75.14 168.63 19.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 13.9 pt-20 -113.32 -37.61 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 9.1 pm0 -88.95 7.89 32.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -87.08 89.19 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 p -79.84 95.5 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 45.1 mt -62.44 -40.5 96.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 79' ' ' GLU . 35.0 t -153.33 152.51 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.0 tt0 -132.08 104.5 6.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.6 t -114.23 135.23 54.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.509 ' HB2' ' CD2' ' A' ' 84' ' ' PHE . 6.2 mpt_? -115.63 138.28 51.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.8 t -44.17 -37.33 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -65.01 -35.3 80.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.509 ' CD2' ' HB2' ' A' ' 81' ' ' ARG . 16.6 m-85 -84.26 -16.64 42.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.485 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 3.3 tt -67.67 101.9 1.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.3 t -70.21 -59.08 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -154.31 132.21 11.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.1 ptp -111.2 167.14 10.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.37 -175.56 46.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 91' ' ' GLY . 64.5 t -131.53 144.32 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.106 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.441 ' N ' HG13 ' A' ' 90' ' ' VAL . . . -67.5 -171.51 5.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -14.37 19.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.36 154.61 29.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.4 m -87.6 -6.48 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 32.6 m80 -87.69 7.34 30.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.0 p -123.9 162.47 23.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -155.6 114.2 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.05 133.49 51.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.07 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -129.01 144.03 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.4 mt -99.01 127.44 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 28.2 ptm -126.5 167.26 15.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -115.61 112.82 22.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.8 p -97.5 -46.14 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.52 -129.19 2.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 107' ' ' ARG . 3.6 m-20 -56.28 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.559 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 17.4 mt-30 -42.68 -23.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 105' ' ' ASN . 24.8 mtp85 -64.37 105.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.559 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 3.3 m-85 -98.27 147.96 24.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -106.91 125.78 51.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.8 t -106.89 109.39 21.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -96.16 138.27 34.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.6 t -115.24 144.04 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.5 ' CD1' ' HE1' ' A' ' 58' ' ' MET . 73.5 m-85 -140.93 131.26 25.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.482 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 33.7 t-105 -89.17 121.57 31.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 66.3 m -96.38 175.09 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.473 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 49.2 mt-10 -159.17 126.49 2.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.524 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 53.4 Cg_endo -69.73 -50.3 0.19 OUTLIER 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.345 -0.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.36 177.59 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.67 31.58 2.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.12 -72.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -46.72 -43.27 17.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 95.5 t -60.76 -65.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.0 m -59.74 -19.83 52.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.97 -36.13 62.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.7 -49.69 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 127' ' ' GLN . 3.2 p -62.81 -41.42 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.419 ' N ' HG13 ' A' ' 126' ' ' VAL . 2.9 tp-100 -50.81 -50.77 55.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.39 -28.59 59.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.28 -45.13 23.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 78.7 m -52.33 -60.01 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.5 t -104.38 42.99 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -69.74 -69.67 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.553 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 114.26 3.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.292 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.1 m -159.17 160.6 35.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 49.6 p -122.18 150.27 42.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 97.37 124.86 4.95 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 24.8 mt -110.19 123.83 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -146.02 157.89 43.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 103.88 83.51 1.7 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 140' ' ' ARG . 9.2 ttp-105 -47.97 -53.86 14.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 87.45 97.14 0.89 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.3 m -142.46 128.08 19.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 45.4 t -110.59 -39.96 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 104.82 -173.98 21.29 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.0 m 60.63 43.96 12.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 49.0 m -119.33 86.14 2.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 178.26 -156.09 18.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.1 m -55.71 109.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.7 m -167.73 174.35 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 152.79 85.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 21.8 m -118.12 137.32 53.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.907 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 15.9 t -53.97 140.61 30.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 86.01 69.47 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -95.09 100.39 12.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -109.61 156.48 20.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -175.04 113.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 7.7 p -46.37 138.48 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 6.5 t -77.74 140.54 63.39 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.593 0.711 . . . . 0.0 111.153 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -1.09 7.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.355 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -88.42 -38.45 15.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 162' ' ' ARG . 5.3 mm-40 -69.36 -57.76 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 161' ' ' GLU . 13.4 ptt180 -36.94 -38.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 164' ' ' LEU . 27.4 t60 -79.54 -64.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 163' ' ' HIS . 10.3 mt -36.06 -44.16 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 3.9 m -70.09 -50.32 42.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -48.06 -26.6 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' MET . . . . . 0.419 ' SD ' ' CE1' ' A' ' 163' ' ' HIS . 77.8 mmm -74.8 -51.17 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -79.89 -7.96 59.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -82.28 -63.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -125.8 -26.53 3.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 83.74 -172.98 50.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.407 ' CD2' ' OE1' ' A' ' 127' ' ' GLN . 7.2 t80 -121.37 91.23 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.386 . . . . 0.0 110.939 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.423 ' CG ' HG11 ' A' ' 32' ' ' VAL . 1.6 tm-20 -69.59 115.37 8.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 85' ' ' LEU . 35.7 t30 -57.57 109.93 2.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.567 0.699 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -20.31 34.9 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.46 HG21 ' N ' ' A' ' 177' ' ' TYR . 12.4 t -79.57 -23.56 42.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . 0.46 ' N ' HG21 ' A' ' 176' ' ' THR . 2.3 t80 -101.0 77.85 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . 0.405 ' HD3' ' CZ ' ' A' ' 180' ' ' PHE . 4.0 tppp? -105.56 79.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -92.54 -33.38 14.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.405 ' CZ ' ' HD3' ' A' ' 178' ' ' LYS . 22.0 p90 -70.45 179.38 2.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -131.24 68.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -108.32 -50.66 3.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' MET . . . . . 0.423 ' N ' ' SD ' ' A' ' 183' ' ' MET . 0.0 OUTLIER -53.53 147.67 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -112.8 162.61 15.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.9 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.4 p -174.74 163.39 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p 40.21 42.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.66 -169.51 12.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -90.77 114.35 26.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.938 0.399 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -156.36 118.81 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.73 -95.93 0.1 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 121.82 8.52 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.339 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.3 p -130.85 121.81 19.16 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.571 0.701 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -171.82 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.286 . . . . 0.0 112.37 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -70.09 146.81 50.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.5 p -77.66 91.21 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -82.28 154.49 25.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.66 117.19 20.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.7 p -108.58 153.69 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.563 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 1.7 pt20 -97.15 134.93 39.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -113.33 139.26 49.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 16' ' ' GLN . 83.3 m-85 -121.38 156.01 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -97.05 108.22 20.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 m -144.22 172.71 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -108.02 158.11 17.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -109.84 106.25 15.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 4.9 mp -73.0 -37.05 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.12 -174.38 23.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.7 ttp -108.2 140.18 41.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.468 ' CD1' ' O ' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -147.01 117.67 4.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.468 ' O ' ' CD1' ' A' ' 26' ' ' LEU . 54.1 Cg_endo -69.72 146.74 61.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -110.3 156.61 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -80.6 -34.93 34.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -129.06 150.75 76.22 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.624 0.726 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.544 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.77 -15.38 37.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.8 m -142.91 153.74 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.68 95.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -43.14 -41.39 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -56.17 -42.21 76.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.5 m -72.72 -43.33 63.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tt -55.48 -43.96 76.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -70.5 -41.77 72.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.0 t -54.1 -18.26 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.96 -39.29 13.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.1 mt -52.59 -54.55 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -57.07 -50.78 71.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -39.99 -34.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.9 mt -90.74 -54.55 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.4 mtt -43.65 -44.86 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.4 p -70.18 -47.1 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.142 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.9 t -44.65 -68.42 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -105.84 176.51 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 p -93.34 165.31 12.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -66.45 -17.82 65.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -93.88 -21.36 19.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.427 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -69.0 -32.4 71.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.463 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 4.5 m0 -61.8 113.55 8.71 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.544 0.687 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 131.18 20.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.622 2.215 . . . . 0.0 112.299 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.408 ' C ' HG11 ' A' ' 56' ' ' VAL . 74.7 p -64.78 128.47 35.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.408 HG11 ' C ' ' A' ' 55' ' ' SER . 20.9 m -138.93 164.52 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -99.35 123.72 43.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.5 ttm -89.5 106.22 18.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 66' ' ' THR . 2.8 m-80 -86.67 119.16 26.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -122.01 99.02 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -81.36 -175.77 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -49.92 -59.89 3.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.91 39.53 3.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 61' ' ' ALA . 83.5 m -156.55 151.52 26.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 84.0 t -134.8 100.3 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' ASN . 9.1 m -100.56 148.86 24.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.183 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 t -112.69 108.27 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 94.4 mt -106.61 146.14 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -79.11 160.81 26.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -75.48 -38.35 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -54.64 -58.46 7.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -118.57 174.49 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -104.0 -40.38 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -63.86 -33.42 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -50.1 112.79 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 p -114.07 80.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 mt -48.29 -63.19 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.504 HG23 ' CE1' ' A' ' 111' ' ' HIS . 61.9 t -127.01 138.48 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' N ' HG11 ' A' ' 78' ' ' VAL . 25.4 tt0 -122.61 94.96 4.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.411 ' SG ' ' CB ' ' A' ' 101' ' ' MET . 29.6 t -106.13 147.58 28.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' PHE . 45.7 mtt180 -123.09 126.92 47.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' ARG . 87.7 t -33.88 -47.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -54.06 -46.77 72.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 81' ' ' ARG . 11.7 m-85 -71.66 -20.17 61.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 174' ' ' ASN . 2.3 tt -57.6 113.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.1 t -81.6 -61.11 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -150.46 130.41 13.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.2 ptp -119.03 151.45 38.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.56 173.88 43.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 91' ' ' GLY . 72.1 t -112.23 143.89 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.43 ' N ' HG13 ' A' ' 90' ' ' VAL . . . -74.86 -165.34 13.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -50.16 -46.49 54.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.753 0.311 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -93.32 134.71 35.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.2 m -66.05 -12.71 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 2.6 m80 -75.22 -23.77 57.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 77.2 p -85.92 156.47 20.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -149.41 113.74 5.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -125.87 142.58 51.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -138.91 141.37 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.9 mt -101.14 115.48 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.411 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER -107.42 158.3 17.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -93.63 104.65 16.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.7 p -87.25 -37.05 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -128.9 -155.68 8.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -67.86 -56.89 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.482 ' O ' ' CZ ' ' A' ' 108' ' ' PHE . 2.0 tt0 -115.23 -37.75 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.24 131.14 46.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 6.7 m-85 -128.05 149.6 50.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -115.44 139.34 50.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 48.6 t -114.79 115.87 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.504 ' CE1' HG23 ' A' ' 78' ' ' VAL . 95.4 m-70 -100.16 127.1 46.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 46.1 t -106.79 144.84 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.47 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 51.1 m-85 -145.91 136.75 24.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -87.4 112.93 22.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 52.4 m -86.06 166.25 16.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 30.7 mt-10 -153.51 129.47 5.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.661 0.743 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.541 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 54.1 Cg_endo -69.76 -49.23 0.24 Allowed 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.354 0.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.98 179.42 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.17 45.57 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.58 -49.91 6.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -72.93 -36.22 67.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 94.3 t -69.41 -56.69 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.2 m -60.63 -33.61 73.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.13 -46.77 73.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.25 66.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.12 -46.7 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -55.22 -56.81 15.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 129' ' ' ALA . . . -61.74 -45.21 94.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 128' ' ' ALA . . . -34.8 -43.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 72.7 m -52.24 -55.85 18.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 55.7 p -74.48 -57.25 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 124.05 -114.33 2.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 122.24 8.94 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.272 . . . . 0.0 112.368 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.8 t -77.62 -49.3 14.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.1 p -65.34 -52.2 55.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.83 -117.06 5.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 138' ' ' GLU . 79.2 mt -96.82 125.41 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 137' ' ' ILE . 17.2 mm-40 -37.58 101.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -76.02 -110.76 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -80.78 178.64 8.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -140.85 -84.92 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.5 m -63.01 -64.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.8 m 51.15 36.87 16.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 40.76 -133.63 2.75 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.1 t 40.19 47.37 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 147' ' ' GLY . 55.0 p -38.21 -49.57 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 146' ' ' SER . . . 37.54 62.0 0.99 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 t -74.16 -44.44 53.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.866 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.6 m -151.94 146.75 25.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 122.71 63.2 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 70.1 m -82.18 132.89 35.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 12.8 p -88.25 -51.65 5.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 150.66 -120.57 1.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -89.56 49.58 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -72.11 -3.24 22.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -168.46 105.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.2 p -44.52 135.2 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 8.8 t -66.42 141.65 97.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -0.78 7.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -82.74 -29.51 29.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -88.21 -53.56 4.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.4 ttm-85 -47.49 -45.02 25.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -52.75 -51.88 58.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 26.9 mt -48.04 -53.8 15.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 36.3 m -51.46 -48.48 62.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -54.64 -44.49 73.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 54.2 mmm -56.35 -35.18 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -83.21 -26.89 30.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -68.54 -72.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -109.73 -44.64 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 98.65 -149.06 19.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -138.77 124.46 19.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.903 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -108.18 118.7 37.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.591 ' ND2' ' CG2' ' A' ' 176' ' ' THR . 17.8 t30 -64.67 125.45 88.78 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.7 2.267 . . . . 0.0 112.392 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.591 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 2.6 t -38.26 -35.4 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -104.07 127.82 51.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -133.86 53.88 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -118.1 96.57 5.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -111.1 179.43 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -112.81 57.5 0.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -54.6 -15.7 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.92 95.82 3.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -103.66 149.92 24.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 34.5 t30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -107.83 -47.01 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m -59.09 129.9 44.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.92 124.39 0.75 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -121.95 -54.12 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.7 p -53.26 -51.27 62.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.24 75.53 0.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 101.72 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.697 2.265 . . . . 0.0 112.375 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.5 m -104.18 93.61 5.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 85.68 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -38.4 154.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 t -136.42 143.43 43.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.04 171.79 9.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -55.22 104.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 p -111.89 146.53 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 18' ' ' PHE . 1.4 tt0 -102.88 137.89 40.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -119.06 131.64 55.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.566 ' CZ ' ' HG2' ' A' ' 16' ' ' GLN . 16.4 m-85 -108.41 161.21 15.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -96.24 110.06 22.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.5 m -145.81 173.52 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -107.34 166.36 10.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -117.22 116.28 26.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -81.97 -43.05 18.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.67 -167.54 29.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.0 ttp -116.8 141.19 48.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -145.33 117.12 5.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.915 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.411 ' N ' HD13 ' A' ' 26' ' ' LEU . 54.1 Cg_endo -69.77 138.33 37.55 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.3 m -109.09 147.44 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -78.32 -38.06 43.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -113.74 144.46 31.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.588 0.708 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -24.68 29.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.0 m -133.9 172.93 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.72 100.17 2.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.434 ' HA ' ' CE ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -45.72 -40.37 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.755 0.312 . . . . 0.0 110.851 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -54.66 -35.26 63.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.9 m -78.64 -45.17 22.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.4 tt -56.94 -50.05 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 34' ' ' MET . 75.1 m-20 -58.65 -42.58 88.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 t -56.0 -15.61 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.68 -38.07 12.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.8 mt -59.67 -61.83 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -51.33 -45.84 62.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -43.98 -42.61 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.8 mt -82.17 -49.2 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 mtt -47.07 -31.83 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.3 p -79.0 -47.06 16.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.7 t -53.2 -55.63 22.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.7 m -111.52 164.54 12.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.1 m -96.75 166.25 11.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 30.7 tttm -56.5 -44.09 80.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.954 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.76 -24.66 60.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.31 -27.26 67.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.465 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 8.5 m0 -70.12 113.73 20.02 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.544 0.687 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 135.66 31.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.4 m -71.19 125.95 28.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.3 m -135.71 172.23 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -103.83 123.69 47.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.485 ' HE3' ' CD1' ' A' ' 113' ' ' PHE . 15.6 tpp -94.1 107.7 19.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -94.38 127.65 40.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.0 t -127.99 98.43 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -75.93 -178.47 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -43.7 -59.93 2.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.15 33.33 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ALA . 27.7 m -145.71 150.39 36.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 86.4 t -134.73 99.95 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -101.82 141.99 33.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.2 t -108.91 103.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 69' ' ' SER . 70.9 mt -101.94 150.38 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.455 ' N ' HG21 ' A' ' 68' ' ' ILE . 2.7 t -76.21 169.76 17.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -86.31 -43.66 12.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -60.97 -52.98 62.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -105.7 168.16 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -114.48 -35.13 5.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -77.45 -12.25 59.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -69.64 118.0 11.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.1 t -104.45 79.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.3 mt -45.84 -64.62 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.43 HG23 ' CE1' ' A' ' 111' ' ' HIS . 85.8 t -136.26 126.79 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -104.31 101.6 11.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.7 t -113.08 144.96 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -119.66 136.3 54.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.488 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 20.3 t -62.03 -20.29 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -75.21 -21.75 58.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 85' ' ' LEU . 30.6 m-85 -97.39 -39.92 8.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 84' ' ' PHE . 2.4 tt -37.27 114.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.9 p -82.76 -45.67 14.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -156.25 149.08 23.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 14.8 ptp -134.73 158.32 44.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.22 -176.35 39.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.537 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 91' ' ' GLY . 59.4 t -128.07 141.04 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 111.163 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -68.14 -180.0 18.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.12 -31.43 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -104.46 118.21 36.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.4 m -51.68 -29.29 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -55.74 -33.57 64.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.8 p -81.76 162.35 22.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -158.41 113.17 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.57 148.1 49.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -137.6 148.53 45.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.3 mt -103.7 124.59 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 16.7 ptm -121.04 164.19 17.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 102' ' ' ASP . 0.4 OUTLIER -109.27 111.35 22.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.6 p -98.79 -35.67 10.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.21 -124.65 4.77 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.439 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -108.55 -64.85 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.567 ' O ' ' CZ ' ' A' ' 108' ' ' PHE . 7.4 tp-100 -103.48 -39.9 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.03 132.65 47.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.567 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 5.9 m-85 -125.47 144.45 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -108.65 138.44 44.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.3 t -121.22 116.81 25.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.43 ' CE1' HG23 ' A' ' 78' ' ' VAL . 94.3 m-70 -94.8 148.5 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.7 t -124.66 135.89 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.485 ' CD1' ' HE3' ' A' ' 58' ' ' MET . 27.6 m-85 -139.38 136.03 34.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -85.51 112.86 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 83.9 m -84.15 159.67 21.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.489 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 52.9 mt-10 -145.81 128.63 8.12 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.601 0.715 . . . . 0.0 110.852 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 54.1 Cg_endo -69.75 -45.66 0.41 Allowed 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.325 -0.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -127.92 -179.23 4.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.99 51.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.074 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.01 -61.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -69.93 -57.67 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.9 t -42.23 -57.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.4 m -65.21 -25.0 67.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -76.3 -31.39 58.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.83 -43.98 28.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.0 p -65.02 -50.11 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.482 ' OE1' ' CE1' ' A' ' 163' ' ' HIS . 8.3 pt20 -61.79 -39.57 92.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.78 -38.93 76.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -50.33 -38.77 43.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.421 ' SG ' ' CG1' ' A' ' 82' ' ' VAL . 84.1 m -59.07 -53.02 63.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 132' ' ' GLY . 1.1 t -100.28 37.3 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 131' ' ' SER . . . 34.45 -97.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.507 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 131' ' ' SER . 53.3 Cg_endo -69.77 147.66 63.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.6 m -111.05 171.92 7.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 34.5 t -54.66 140.83 34.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 109.17 93.37 2.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 43.3 mm -107.09 134.09 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 111.177 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -80.09 83.72 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -114.5 -165.93 15.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -49.03 163.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 164.63 84.15 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.447 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.3 m -99.49 168.71 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.1 m -153.54 173.74 15.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -168.46 47.69 0.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.5 p -115.99 166.1 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.909 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 28.4 t -59.87 -48.84 80.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 160.68 -130.12 2.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 24.4 m -157.62 172.62 18.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 0.0 110.818 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 69.3 p -143.21 175.56 9.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.824 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -115.47 136.52 13.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 55.6 p -172.49 168.77 5.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 52.7 p -46.18 142.89 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -163.67 177.35 39.57 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.443 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.17 153.3 42.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.97 146.02 51.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -126.55 92.2 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.74 130.94 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 14.5 t -57.79 141.41 80.12 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.602 0.715 . . . . 0.0 111.154 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 3.52 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.74 2.293 . . . . 0.0 112.366 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -82.56 -64.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -54.33 -45.57 72.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -47.47 -30.02 3.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . 0.482 ' CE1' ' OE1' ' A' ' 127' ' ' GLN . 3.0 t60 -79.59 -57.82 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.826 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 89.7 mt -42.5 -43.54 3.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 168' ' ' GLN . 11.4 m -62.14 -64.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 165' ' ' SER . 29.4 mtpt -38.3 -39.04 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 15.8 mmm -65.7 -41.52 92.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 165' ' ' SER . 44.6 mt-30 -78.6 -21.97 47.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -76.38 -75.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . 0.44 HD21 ' N ' ' A' ' 171' ' ' GLY . 0.2 OUTLIER -104.96 -32.0 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . 0.44 ' N ' HD21 ' A' ' 170' ' ' ASN . . . 90.76 -149.96 20.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -144.18 120.16 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.929 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -100.16 115.63 30.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 50.4 t30 -64.3 120.48 65.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.628 0.728 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -45.22 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -39.81 21.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -124.84 101.99 7.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -123.34 52.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 180' ' ' PHE . 13.0 t80 -38.78 -62.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 179' ' ' PHE . 49.2 p90 -48.6 178.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -134.79 72.14 1.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -121.46 -39.3 2.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 2.2 mmt -126.7 141.68 51.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -112.44 149.1 33.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -120.61 169.33 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.845 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -123.55 -50.27 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.01 129.5 2.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 t -172.63 118.81 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -147.78 151.18 35.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.22 107.61 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 111.52 2.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.683 2.256 . . . . 0.0 112.316 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.1 p -130.72 85.35 55.94 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.622 0.725 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 107.5 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -114.53 114.8 26.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 m -62.47 95.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -99.32 153.0 19.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 15' ' ' VAL . 0.6 OUTLIER -94.52 121.99 36.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.464 ' N ' HD12 ' A' ' 14' ' ' LEU . 11.0 p -128.66 149.02 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -119.87 124.48 46.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -97.34 149.79 21.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -133.28 139.37 46.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -79.91 110.59 15.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -143.31 -176.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -117.35 165.07 13.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -113.59 117.3 31.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.445 HD21 ' CH2' ' A' ' 53' ' ' TRP . 5.5 mp -83.55 -43.18 15.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.09 -178.55 26.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.406 ' N ' HD22 ' A' ' 44' ' ' LEU . 16.1 ttp -116.74 125.24 51.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.83 117.42 19.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 140.14 41.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 m -110.3 -176.79 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.6 -42.16 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 -103.94 143.02 25.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.59 0.71 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -23.64 30.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.318 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.38 169.48 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.21 104.79 2.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.5 mmt -51.56 -41.55 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.59 -29.5 11.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.9 m -88.61 -45.53 9.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.29 -52.24 66.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -59.0 -45.16 91.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.474 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 32.1 t -52.18 -20.06 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.55 -34.07 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.6 mt -62.28 -56.49 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -52.25 -45.95 65.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 39' ' ' SER . 18.4 m-20 -44.26 -49.22 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 47' ' ' SER . 9.5 mt -76.05 -53.99 7.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.1 mtt -41.89 -43.8 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.8 p -73.06 -30.82 63.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' LEU . 2.8 t -68.54 -64.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.0 m -101.62 157.76 16.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.6 m -94.53 161.29 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 23.1 tttt -48.55 -45.44 37.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.9 -38.32 73.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -54.06 -35.71 62.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.445 ' CH2' HD21 ' A' ' 23' ' ' LEU . 11.3 m0 -62.19 113.39 8.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.499 0.666 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.54 40.48 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.734 2.289 . . . . 0.0 112.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.1 m -73.13 124.01 24.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.4 m -132.98 167.72 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -104.26 120.58 41.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 44.4 ttm -90.15 98.54 11.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -84.55 109.84 18.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.7 t -109.81 98.64 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -76.83 -176.99 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 129' ' ' ALA . 12.5 t70 -49.89 -60.96 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.64 37.21 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' ALA . 93.2 m -155.44 150.38 26.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.1 t -133.81 103.25 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 m -105.6 143.43 33.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.95 118.29 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.5 mt -112.54 147.54 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.7 t -81.59 118.83 23.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -38.71 -35.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -70.39 -65.55 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.443 ' HB3' ' CB ' ' A' ' 75' ' ' GLU . 49.2 t-20 -98.94 132.79 44.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -38.93 35.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -78.8 -0.48 30.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.443 ' CB ' ' HB3' ' A' ' 72' ' ' ASN . 19.2 tt0 -85.46 107.26 17.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.2 t -99.26 96.21 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 66.0 mt -62.84 -43.56 98.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.534 HG13 ' CE1' ' A' ' 111' ' ' HIS . 95.8 t -152.12 129.88 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.065 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -108.63 95.81 5.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 t -101.76 148.11 25.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 82' ' ' VAL . 0.4 OUTLIER -131.13 119.81 22.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.852 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 81' ' ' ARG . 58.9 t -34.15 -59.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -39.42 -49.78 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 85' ' ' LEU . 14.8 m-85 -70.01 -39.94 75.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 84' ' ' PHE . 2.2 tt -37.72 116.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.7 p -81.83 -58.93 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -151.01 130.54 12.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.6 ptp -120.35 148.73 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.66 -170.4 29.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 91' ' ' GLY . 79.5 t -128.56 143.75 40.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.448 ' N ' HG13 ' A' ' 90' ' ' VAL . . . -72.11 -171.39 16.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -50.44 -43.5 55.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.4 122.58 38.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.1 m -55.19 -26.76 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -58.31 -23.31 56.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.4 p -95.2 158.86 15.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -155.72 114.25 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.44 148.25 49.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 5.7 p90 -139.18 142.89 37.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.6 mt -100.65 125.82 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.3 ptm -123.05 168.93 11.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -105.99 113.1 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.5 p -107.73 43.14 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.18 -130.38 7.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 107' ' ' ARG . 2.8 m-20 -55.19 -174.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.516 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -46.61 -20.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 105' ' ' ASN . 7.5 ptt85 -61.24 121.23 12.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.516 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 5.9 m-85 -119.45 139.63 51.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -106.4 137.21 44.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.9 t -112.28 110.78 21.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.534 ' CE1' HG13 ' A' ' 78' ' ' VAL . 39.0 m-70 -93.92 134.04 36.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.2 t -113.29 142.07 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -144.03 130.48 19.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -80.24 124.26 28.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 90.9 m -99.44 159.4 15.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.457 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 30.0 mt-10 -146.65 126.21 6.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.667 0.746 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.3 Cg_endo -69.71 -48.02 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.753 -1.769 . . . . 0.0 112.341 -0.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.94 179.14 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.96 46.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.5 -57.05 3.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -66.67 -36.04 81.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.4 t -66.6 -44.33 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.8 p -77.94 -21.96 50.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -79.42 -42.73 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.89 -48.32 71.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 127' ' ' GLN . 11.0 p -65.71 -46.24 89.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.41 ' N ' HG11 ' A' ' 126' ' ' VAL . 33.1 tt0 -59.74 -49.93 75.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.72 -41.84 87.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 62' ' ' ASP . . . -43.73 -43.16 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 77.9 m -44.8 -51.77 9.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 132' ' ' GLY . 1.1 t -100.9 40.87 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 131' ' ' SER . . . 33.51 -96.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.435 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 131' ' ' SER . 53.7 Cg_endo -69.77 158.64 56.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.234 . . . . 0.0 112.388 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.7 m -142.15 155.17 45.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 22.1 m -152.99 115.41 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -156.44 144.84 11.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.3 mm -117.59 143.03 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.437 ' HG2' ' N ' ' A' ' 139' ' ' GLY . 1.2 pm0 -89.5 -34.52 16.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.437 ' N ' ' HG2' ' A' ' 138' ' ' GLU . . . 102.48 141.1 11.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.528 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -63.96 -61.74 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 178.98 170.52 41.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 53.1 p -122.97 -57.54 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.2 t 45.82 42.47 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -50.66 132.63 31.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 37.6 t -58.24 -52.42 65.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.928 0.395 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 87.3 p -72.28 110.77 6.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 143.87 138.74 3.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 23.1 t -105.36 101.65 11.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.363 . . . . 0.0 110.851 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.9 t -172.7 144.43 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 99.96 -75.44 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.54 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.7 p -50.87 -51.11 54.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 23.1 t -86.26 -56.29 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -108.09 127.32 8.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.535 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.08 125.32 47.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.811 0.339 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -162.02 144.49 11.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -172.67 113.37 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.423 ' CG2' ' CD ' ' A' ' 161' ' ' GLU . 8.7 p -88.43 139.13 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 5.7 t -65.35 142.72 98.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.582 0.706 . . . . 0.0 111.164 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 0.5 5.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.34 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -79.73 -52.08 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.423 ' CD ' ' CG2' ' A' ' 157' ' ' VAL . 13.7 pt-20 -70.71 -43.38 69.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -46.77 -53.13 12.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -59.27 -48.53 81.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.19 -43.59 61.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 32.2 m -52.47 -46.43 66.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -56.94 -43.62 81.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 87.3 mmm -58.12 -50.65 72.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -71.32 -13.0 61.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -82.11 -72.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -107.13 -23.58 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 72.84 -169.16 52.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -125.51 124.46 41.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.912 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -105.33 116.49 32.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.47 ' ND2' ' CG2' ' A' ' 176' ' ' THR . 25.2 t30 -58.67 118.8 31.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -37.21 9.62 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.363 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.47 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 10.7 t -56.2 -26.95 52.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -111.44 71.49 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -100.98 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -50.75 -44.44 58.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -70.51 164.8 24.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -106.03 55.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 183' ' ' MET . 13.3 pt20 -54.27 -41.73 69.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' MET . . . . . 0.468 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 3.3 tpp -84.38 143.17 29.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -100.16 135.62 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -109.27 150.68 27.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.898 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -86.7 128.1 34.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.804 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.85 -115.08 3.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.5 p -129.9 111.32 12.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -162.83 165.98 24.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.72 -164.15 22.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 4.51 2.11 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.731 2.288 . . . . 0.0 112.369 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.5 t -140.13 141.13 25.57 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.568 0.699 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 176.52 6.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.231 . . . . 0.0 112.348 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -112.34 82.02 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 12' ' ' THR . 1.2 t -86.78 32.18 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -101.22 145.12 29.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.62 103.35 13.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.1 p -108.68 141.63 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -96.43 139.88 31.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 149.14 32.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -132.44 136.92 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 tpp85 -75.08 114.01 13.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 m -146.45 172.15 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -110.6 159.19 17.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -110.17 110.27 21.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.994 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.47 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 5.4 mp -77.65 -41.84 36.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.09 -178.16 28.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.7 ttp -109.32 139.74 43.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.2 117.38 6.79 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 155.13 66.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.236 . . . . 0.0 112.397 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 m -135.72 153.04 32.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -104.61 -9.93 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -115.64 135.75 22.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -30.06 22.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.228 . . . . 0.0 112.339 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.4 m -138.99 -175.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.06 105.63 2.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 67.1 mmm -52.25 -29.39 22.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.01 -33.85 76.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.0 m -82.92 -41.66 18.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 tt -62.32 -43.78 98.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -72.88 -41.04 65.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 t -53.15 -20.8 4.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.24 -33.79 19.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mt -55.52 -64.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 44' ' ' LEU . 3.3 mm-40 -48.57 -57.98 5.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' GLU . 33.3 m-20 -35.39 -34.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' GLU . 22.8 mt -85.82 -54.55 4.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.4 mtp -46.19 -46.33 17.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -63.94 -24.72 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 t -77.11 -52.04 9.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.0 m -121.09 144.16 48.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 m -75.31 170.77 15.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.532 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 68.8 tttt -59.23 -45.37 91.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -74.43 -22.0 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.08 -20.53 62.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.532 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.4 m0 -78.83 120.85 82.37 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 160.82 48.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.298 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.4 p -93.66 127.62 39.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.444 ' CG1' ' CD1' ' A' ' 77' ' ' LEU . 25.4 m -135.61 161.4 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -100.68 116.95 33.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.9 ttm -88.32 98.47 11.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -86.16 119.5 26.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.9 t -117.23 99.76 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -76.12 -176.85 3.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -40.4 -66.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.64 29.46 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 61' ' ' ALA . 9.9 m -139.41 148.54 42.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.5 t -129.56 102.2 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.402 ' CG2' HG13 ' A' ' 76' ' ' VAL . 1.6 m -108.56 135.69 49.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' LEU . 90.5 t -103.62 112.82 38.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.7 mt -109.14 137.24 42.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.5 t -58.19 144.27 41.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -64.1 -32.18 73.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -70.22 -72.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.46 163.81 16.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -114.29 14.03 17.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -127.65 -0.39 6.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -90.71 94.8 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.402 HG13 ' CG2' ' A' ' 66' ' ' THR . 40.4 t -76.2 90.07 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 67' ' ' VAL . 62.5 mt -53.29 -50.88 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.8 t -145.26 129.5 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -105.53 95.87 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 8.8 t -111.61 145.36 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.478 ' HD3' ' CE1' ' A' ' 84' ' ' PHE . 13.9 ttt180 -116.4 121.47 42.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.5 t -42.01 -39.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -68.19 -38.16 81.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.478 ' CE1' ' HD3' ' A' ' 81' ' ' ARG . 3.3 m-85 -74.42 -18.01 60.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.32 114.3 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.4 t -77.18 -47.19 20.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' A' ' 172' ' ' TYR . 87.9 t80 -164.11 141.87 7.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.4 ptp -130.11 160.8 32.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.4 -175.78 39.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 23.2 t -128.59 139.62 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.383 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.64 -179.53 6.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -45.99 -38.47 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.747 0.308 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.94 156.12 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 164' ' ' LEU . 35.4 m -90.39 7.81 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -96.03 -14.77 22.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 78.5 p -104.2 148.66 26.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.448 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 21.2 t80 -145.91 115.2 7.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -123.37 148.77 45.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 99' ' ' PHE . 3.5 p90 -139.09 150.77 46.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.3 mt -110.42 123.81 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptm -112.94 161.49 16.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -102.58 104.65 15.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.6 p -96.24 -29.58 13.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -130.09 -157.73 9.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -73.16 -54.53 8.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.02 -37.59 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 107' ' ' ARG . 2.6 ptp180 -67.14 127.19 31.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -124.32 159.8 29.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -114.16 144.1 43.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.2 t -122.76 116.08 23.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -109.18 142.39 40.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.9 t -120.02 146.0 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -144.96 129.71 18.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -81.53 116.26 21.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 61.4 m -96.0 146.98 24.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.8 mm-40 -129.44 127.98 23.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.578 0.704 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.7 Cg_endo -69.74 -47.96 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.354 -0.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.35 176.36 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -93.89 40.22 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.471 ' CB ' HD21 ' A' ' 164' ' ' LEU . . . -79.86 -54.61 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -72.99 -18.82 61.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 39.7 t -81.87 -45.09 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.9 m -72.92 -32.18 65.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 5.7 pt-20 -65.24 -43.09 92.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 124' ' ' GLU . . . -63.45 -47.28 82.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.65 -37.4 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -59.03 -49.22 78.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.81 -37.62 76.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -45.41 -36.08 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 72.9 m -51.85 -43.65 63.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.7 m -120.6 47.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.59 -160.08 33.53 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.59 37.71 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.307 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 21.5 m -128.72 166.2 19.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.0 t -125.16 152.05 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 167.88 -167.91 40.38 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 4.9 mm -100.13 122.49 52.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.755 0.312 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -113.23 177.92 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -133.59 89.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -102.38 61.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -114.41 125.75 6.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.5 t -98.75 138.31 36.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.815 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 68.3 m -122.98 146.87 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -134.06 131.86 6.16 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.9 p -173.47 142.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 30.5 p -139.38 112.59 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 138.57 97.63 0.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 46.3 m -156.58 120.97 4.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.91 0.386 . . . . 0.0 110.817 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.0 m -69.57 -54.13 15.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 170.7 96.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 18.3 t -119.17 104.65 10.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 59.3 m -146.0 134.14 21.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 154' ' ' ASP . . . 164.54 -69.57 0.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 153' ' ' GLY . 46.5 m-20 -35.77 133.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -102.62 136.42 42.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -159.82 108.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 15.3 t -64.68 115.39 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 14.9 t -63.34 141.04 97.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.4 2.8 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -89.43 -42.58 11.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -65.06 -46.66 80.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 34.6 ptt85 -41.41 -34.63 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -76.29 -55.52 5.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . 0.471 ' CD1' ' HB ' ' A' ' 94' ' ' VAL . 0.6 OUTLIER -42.32 -54.75 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.963 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 169' ' ' GLN . 80.5 p -39.55 -58.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.04 -42.41 18.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 47.2 mmm -65.26 -47.01 78.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -82.41 -4.73 57.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 165' ' ' SER . 21.3 mt-30 -94.51 -68.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . 0.62 HD21 ' N ' ' A' ' 171' ' ' GLY . 0.4 OUTLIER -107.93 -29.78 8.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . 0.62 ' N ' HD21 ' A' ' 170' ' ' ASN . . . 84.62 -158.15 33.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.464 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.44 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 32.9 t80 -139.62 126.94 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -105.78 120.02 40.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -67.61 118.19 54.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.66 0.743 . . . . 0.0 110.828 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.79 10.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.622 2.215 . . . . 0.0 112.387 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 177' ' ' TYR . 2.7 t -48.87 -39.74 26.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . 0.405 ' N ' ' CG2' ' A' ' 176' ' ' THR . 0.5 OUTLIER -103.55 60.33 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 16.8 tttm -108.55 104.95 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -128.9 101.34 6.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -120.02 -178.96 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -132.79 63.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -115.85 75.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 12.1 mtm -119.32 105.8 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -102.95 162.56 12.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 4.5 m120 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -100.52 162.36 12.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.383 . . . . 0.0 110.829 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 m -151.42 118.9 6.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.75 -40.76 0.67 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 t -46.68 98.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 m -139.43 137.57 35.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.25 93.71 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 9' ' ' THR . 53.4 Cg_endo -69.81 134.77 28.66 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 8' ' ' PRO . 8.6 m -35.76 129.36 0.59 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.594 0.712 . . . . 0.0 111.117 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 115.21 3.99 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -132.39 150.38 52.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.0 p -113.15 94.51 4.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -105.12 151.22 24.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.422 ' C ' HD11 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -63.11 110.95 2.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 61' ' ' ALA . 7.7 p -121.53 142.36 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -112.41 128.17 56.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -99.71 148.72 24.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -132.12 141.84 49.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' NH1' ' OE2' ' A' ' 116' ' ' GLU . 3.8 tmm_? -79.38 114.74 18.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.6 m -150.66 178.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -116.77 164.88 13.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -116.7 116.4 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.564 HD22 ' CH2' ' A' ' 53' ' ' TRP . 5.3 mp -80.89 -36.18 31.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.37 -172.43 24.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.449 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.471 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 15.0 ttp -115.48 138.72 50.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -141.13 121.6 8.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 110.954 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 141.56 45.87 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.388 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 36' ' ' THR . 34.4 m -115.95 158.93 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.71 -41.48 12.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -115.33 145.09 33.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -36.14 11.26 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.7 m -118.6 153.69 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.63 101.78 1.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.496 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 2.4 mmt -44.2 -40.19 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -54.23 -37.22 64.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 28' ' ' VAL . 25.2 m -79.24 -43.99 22.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.97 -58.32 9.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 34' ' ' MET . 63.6 m-80 -56.81 -47.66 79.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 t -39.36 -27.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' ASN . . . -82.47 -41.52 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 38' ' ' ASN . 75.7 mt -46.36 -60.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -55.8 -51.66 66.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -41.71 -38.22 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 112' ' ' VAL . 9.8 mt -83.24 -54.35 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.7 mtt -46.79 -35.35 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 p -66.17 -53.28 39.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.8 t -63.56 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 p -95.88 142.8 27.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -96.58 164.9 12.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.551 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 34.1 tttm -41.79 -47.37 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -70.27 -33.09 71.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.24 -29.47 67.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CH2' HD22 ' A' ' 23' ' ' LEU . 2.4 m0 -77.03 114.36 38.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.621 0.724 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 160.83 48.25 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.645 2.23 . . . . 0.0 112.324 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 m -91.42 122.79 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.4 m -136.64 165.53 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -101.35 125.06 47.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.3 ttm -90.67 101.56 14.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -85.66 106.14 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.8 t -106.94 100.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.435 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -79.8 177.79 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -47.69 -58.27 4.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.09 40.89 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 61' ' ' ALA . 88.3 m -158.1 149.14 20.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 98.3 t -134.43 98.92 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.9 m -105.81 151.15 24.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.443 HG23 ' CE2' ' A' ' 113' ' ' PHE . 86.0 t -114.24 116.32 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.4 mt -114.97 148.33 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -71.42 168.8 16.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -84.8 -40.12 17.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 72' ' ' ASN . 0.1 OUTLIER -71.16 -44.88 64.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.458 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 59.9 m-20 -106.35 165.65 11.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -112.53 -39.98 4.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -72.28 -34.56 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -48.74 105.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.411 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.1 p -98.86 84.51 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.6 mt -47.52 -56.43 7.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.7 t -141.63 132.53 26.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -113.56 96.4 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.0 t -107.8 145.0 34.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 82' ' ' VAL . 1.1 mpt_? -118.37 127.69 53.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 81' ' ' ARG . 89.4 t -36.71 -48.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -49.8 -46.12 50.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 81' ' ' ARG . 11.4 m-85 -67.75 -34.41 76.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.4 tt -47.7 112.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.3 p -86.69 -38.94 16.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -166.74 136.44 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.2 ptp -125.68 150.26 47.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -163.82 -171.87 30.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 91' ' ' GLY . 71.9 t -126.7 143.67 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.147 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.442 ' N ' HG13 ' A' ' 90' ' ' VAL . . . -77.32 177.86 52.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -37.54 -47.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.73 0.3 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -91.82 122.35 34.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.446 ' HB ' ' CD2' ' A' ' 164' ' ' LEU . 16.1 m -55.05 -21.41 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 2.4 m80 -67.19 -24.83 65.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.0 p -87.63 152.47 22.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -145.02 115.42 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -125.93 150.18 48.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -151.4 140.41 21.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.0 mp -96.37 130.81 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.6 ptm -118.87 148.39 42.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.03 109.69 21.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 80.0 p -86.15 -14.48 43.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 105' ' ' ASN . . . 158.19 -100.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.415 ' C ' ' H ' ' A' ' 107' ' ' ARG . 2.2 m120 -51.99 -172.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -70.1 4.43 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.415 ' H ' ' C ' ' A' ' 105' ' ' ASN . 26.5 mtp180 -93.81 99.19 11.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -105.23 145.17 31.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -107.32 149.08 28.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 41.9 t -121.79 110.88 16.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.471 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 84.0 m-70 -91.83 133.6 35.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 44' ' ' LEU . 66.6 t -113.16 135.36 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.459 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 15.7 m-85 -136.44 133.95 37.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -87.33 122.83 31.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 81.8 m -98.61 161.99 13.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.496 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 44.0 mt-10 -146.21 129.11 8.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 110.879 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.581 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 53.9 Cg_endo -69.79 -49.08 0.24 Allowed 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.338 0.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.16 -178.61 3.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -101.97 38.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.6 -57.1 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.26 -48.58 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.45 -64.45 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.1 m -50.41 -38.43 42.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.38 -43.12 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.6 -47.59 83.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 127' ' ' GLN . 11.8 p -67.78 -49.01 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.428 ' N ' HG13 ' A' ' 126' ' ' VAL . 35.3 tt0 -51.51 -48.47 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 129' ' ' ALA . . . -68.36 -42.14 79.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 128' ' ' ALA . . . -38.03 -45.61 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 65.8 m -49.86 -51.2 42.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.5 t -113.04 36.25 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.82 150.88 2.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 134' ' ' SER . 52.9 Cg_endo -69.83 1.81 4.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.624 2.216 . . . . 0.0 112.35 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 133' ' ' PRO . 30.2 t -35.51 -48.54 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 87.1 p -78.02 89.92 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -103.06 -104.18 2.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.533 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 75.4 mt -117.66 144.76 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 0.0 111.188 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.52 177.13 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -136.32 95.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 140' ' ' ARG . 0.3 OUTLIER -61.55 -63.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.867 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 95.7 93.54 1.76 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.5 m -39.96 146.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 77.7 p -102.82 -52.11 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 123.32 -178.99 16.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.8 m -78.33 151.15 33.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 46.6 p -102.14 -53.29 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -156.66 -165.55 14.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 149' ' ' SER . 4.2 m -83.02 165.66 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.36 . . . . 0.0 110.869 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 148' ' ' SER . 11.5 m 35.24 42.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 151' ' ' SER . . . -83.11 -164.79 36.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 150' ' ' GLY . 35.3 m -35.1 121.89 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.7 m -104.52 -47.41 4.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -94.32 48.77 2.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -39.06 154.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -144.4 135.65 25.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -169.67 113.15 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 158' ' ' THR . 14.7 p -84.52 155.88 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.465 ' N ' HG23 ' A' ' 157' ' ' VAL . 0.5 OUTLIER -76.38 146.05 77.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 111.153 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -23.37 31.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -60.26 -40.53 90.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.427 ' HG3' ' CG2' ' A' ' 158' ' ' THR . 15.0 mt-10 -71.53 -59.53 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 161' ' ' GLU . 26.1 ttt180 -35.77 -54.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -62.27 -59.06 5.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . 0.446 ' CD2' ' HB ' ' A' ' 94' ' ' VAL . 8.4 mt -39.58 -55.78 1.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.418 ' O ' ' CG ' ' A' ' 168' ' ' GLN . 1.8 m -53.41 -51.32 62.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -49.02 -44.15 41.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' MET . . . . . 0.403 ' SD ' ' NE2' ' A' ' 127' ' ' GLN . 87.2 mmm -53.91 -53.86 46.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 165' ' ' SER . 3.4 pt20 -67.69 -23.97 65.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -70.15 -68.18 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -114.63 -27.59 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 70.74 -172.71 42.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -123.99 133.45 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.939 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -110.34 118.61 36.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.441 ' ND2' ' CG2' ' A' ' 176' ' ' THR . 14.7 t30 -39.46 119.02 1.26 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.648 0.737 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -9.0 25.04 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.441 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 10.2 t -98.93 -27.97 13.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -111.38 82.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.18 128.77 32.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.432 ' O ' ' CG ' ' A' ' 179' ' ' PHE . 59.3 t80 -131.96 52.25 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -174.67 4.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -117.79 18.05 14.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 183' ' ' MET . 23.3 mm-40 -60.29 -50.13 74.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' MET . . . . . 0.452 ' C ' ' O ' ' A' ' 182' ' ' GLN . 32.2 mtm -34.07 133.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -84.25 148.54 26.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 25.7 p30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.926 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -78.67 149.6 32.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.359 . . . . 0.0 110.856 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 t -106.37 -53.52 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.54 150.44 6.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 t -117.31 118.57 32.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 p -111.87 131.39 55.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.37 172.43 18.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 131.96 22.31 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.403 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 33.8 p -47.68 108.81 0.96 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.602 0.715 . . . . 0.0 111.149 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 9' ' ' THR . 53.2 Cg_endo -69.8 111.11 2.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.295 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -76.27 162.23 28.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -91.3 93.3 9.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -98.61 144.88 27.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.14 99.48 3.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 16' ' ' GLN . 85.0 t -118.25 141.15 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.474 ' N ' HG13 ' A' ' 15' ' ' VAL . 10.9 mt-30 -106.02 113.25 26.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -83.6 124.67 31.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -115.96 134.01 55.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -78.34 106.6 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.4 m -140.31 173.42 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -114.18 152.95 30.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -101.13 106.86 18.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 5.9 mp -75.22 -55.31 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.53 -177.04 37.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.9 ttp -107.67 149.42 28.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.68 117.3 1.93 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 142.02 46.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.665 2.244 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.4 m -116.1 144.76 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -63.67 -45.17 91.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -121.61 151.7 57.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.562 ' HB3' ' CD2' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.8 -39.22 6.7 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.667 2.244 . . . . 0.0 112.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.2 m -103.18 -175.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.13 103.93 0.84 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.439 ' HA ' ' CE ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -53.24 -52.54 58.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.854 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -44.02 -35.42 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.6 m -78.12 -39.96 39.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.8 tt -64.1 -55.62 20.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -53.34 -34.84 59.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 t -58.26 -19.71 36.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.27 -35.18 17.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.07 -62.86 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -48.12 -51.09 26.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -39.9 -54.64 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 47' ' ' SER . 6.3 mt -68.78 -60.18 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.2 mtt -38.34 -40.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.7 p -73.66 -37.38 65.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' LEU . 67.0 m -66.85 -58.26 5.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.6 m -103.18 169.55 8.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.496 ' O ' ' NE1' ' A' ' 53' ' ' TRP . 13.4 p -98.59 159.02 15.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 19.1 tttt -62.63 -18.34 62.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -92.27 -31.86 15.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.86 -34.55 76.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.512 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 2.1 m0 -61.7 112.24 5.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.524 0.678 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 136.81 33.91 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.724 2.282 . . . . 0.0 112.322 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 m -72.98 111.04 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.1 m -115.89 168.71 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -98.99 124.48 43.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 55.8 ttm -92.69 101.59 14.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.412 ' ND2' HG13 ' A' ' 68' ' ' ILE . 19.6 m-80 -76.24 100.52 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.2 t -102.47 98.18 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.474 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . . . -93.92 173.08 7.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 129' ' ' ALA . 31.0 t0 -39.51 -70.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.5 42.92 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.057 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -158.28 149.82 21.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.143 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.3 t -140.23 106.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 67' ' ' VAL . 40.0 m -110.95 145.67 37.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.446 ' N ' HG23 ' A' ' 66' ' ' THR . 53.0 t -110.68 105.42 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.431 HG21 ' N ' ' A' ' 69' ' ' SER . 83.0 mt -104.27 153.26 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.431 ' N ' HG21 ' A' ' 68' ' ' ILE . 8.3 t -76.27 160.88 29.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -72.79 -37.17 67.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -85.59 -57.67 2.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -81.14 141.93 33.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -100.73 -37.22 8.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -82.22 -12.62 57.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -67.91 97.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.6 t -86.63 76.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.5 mt -42.73 -72.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.7 t -127.82 129.39 69.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -104.46 97.79 7.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.9 t -105.55 148.14 27.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 82' ' ' VAL . 58.4 mtt180 -140.95 124.51 16.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.495 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 2.3 m -34.12 -45.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.2 mtm-85 -45.94 -48.96 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 81' ' ' ARG . 33.3 m-85 -75.44 -32.03 60.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.9 tt -47.48 100.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.9 p -78.12 -47.0 19.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -158.19 141.0 14.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.4 ptp -129.24 153.24 47.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.42 -170.41 26.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 91' ' ' GLY . 41.9 t -134.34 146.23 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 111.193 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.455 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -85.87 164.09 37.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 91' ' ' GLY . 7.0 mtpm? -34.89 -43.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -81.82 108.75 15.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.9 m -55.76 -16.43 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.411 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 9.1 m80 -84.68 27.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.1 p -136.33 164.24 28.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -156.42 116.1 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -129.61 136.0 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -132.38 145.15 51.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.426 ' CD1' ' O ' ' A' ' 31' ' ' PRO . 68.6 mt -100.93 119.35 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.437 ' HE3' ' CG2' ' A' ' 103' ' ' THR . 24.0 ptm -118.45 155.76 30.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -94.12 104.11 16.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.437 ' CG2' ' HE3' ' A' ' 101' ' ' MET . 70.4 p -106.98 43.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 139.8 -139.83 10.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 107' ' ' ARG . 16.2 m-80 -62.32 -174.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -41.97 -24.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 105' ' ' ASN . 52.9 mtt180 -64.3 100.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 31' ' ' PRO . 7.2 m-85 -101.31 143.18 31.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -105.3 157.21 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.4 t -124.38 111.6 15.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -92.52 130.87 38.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 113' ' ' PHE . 40.8 t -109.15 139.38 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.41 ' N ' HG11 ' A' ' 112' ' ' VAL . 90.9 m-85 -143.6 119.99 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.411 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 34.8 t-105 -74.56 125.05 27.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.407 ' C ' ' HG2' ' A' ' 116' ' ' GLU . 79.9 m -100.96 161.67 13.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.474 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.3 mm-40 -146.29 127.67 7.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.739 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.9 Cg_endo -69.75 -50.77 0.17 OUTLIER 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.366 -0.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.59 -176.4 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -103.11 42.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.15 -48.8 19.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 124' ' ' GLU . 4.8 m120 -76.21 -61.09 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 121' ' ' ASN . 99.0 t -36.86 -51.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.3 m -65.78 -39.41 90.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 121' ' ' ASN . 26.2 tt0 -60.03 -42.02 93.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.59 -54.27 42.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.7 p -62.13 -42.69 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.457 ' NE2' ' CG ' ' A' ' 172' ' ' TYR . 0.7 OUTLIER -48.49 -54.84 12.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.59 -38.63 77.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 62' ' ' ASP . . . -45.92 -39.62 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 75.5 m -54.06 -41.75 68.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.6 t -120.09 42.85 2.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -114.74 83.64 0.34 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 75.2 m -145.64 159.74 42.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 13.2 m -106.22 173.87 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 103.06 -52.26 0.8 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.71 110.29 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -149.09 137.63 21.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -58.71 101.59 0.22 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.457 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -96.97 154.18 17.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -119.93 134.92 10.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 83.0 p -120.23 112.6 19.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 44.6 p -172.29 134.96 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -78.25 -169.51 34.89 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t -142.84 138.73 30.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.827 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.6 t -122.55 146.84 47.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 40.14 73.37 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 70.3 m -52.96 -56.43 16.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.9 t -155.96 142.69 18.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 177.12 42.62 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.0 m -145.23 175.26 10.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.842 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 63.3 m -96.0 130.62 42.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 84.63 62.91 1.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -113.6 135.55 53.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -167.15 158.0 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -172.63 112.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 8.4 p -48.88 125.93 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 15.1 t -60.17 139.11 91.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 111.105 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 7.77 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.635 2.223 . . . . 0.0 112.356 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -87.89 -41.75 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.71 -41.11 27.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -48.24 -49.2 34.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -65.29 -47.61 76.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.03 -46.98 72.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.469 ' HA ' ' CG ' ' A' ' 168' ' ' GLN . 13.4 t -55.09 -56.49 19.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -42.09 -33.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 9.8 mtp -73.09 -53.14 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.469 ' CG ' ' HA ' ' A' ' 165' ' ' SER . 2.7 pt20 -70.4 -12.69 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -85.37 -72.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.55 -41.86 5.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 100.64 -168.33 20.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.457 ' CG ' ' NE2' ' A' ' 127' ' ' GLN . 62.8 t80 -139.45 120.37 14.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.959 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -98.9 117.9 34.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 46.1 t-20 -48.17 125.11 11.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.55 0.69 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -5.77 17.02 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 2.4 t -97.76 -25.02 15.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -93.8 89.55 6.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . 0.479 ' HB3' ' CE2' ' A' ' 180' ' ' PHE . 2.5 mtpp -117.1 -67.72 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 54.9 t80 41.27 53.5 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.479 ' CE2' ' HB3' ' A' ' 178' ' ' LYS . 0.5 OUTLIER -105.26 -174.44 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -123.53 63.0 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -107.39 -54.05 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 34.1 mtm -58.91 173.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -69.84 174.96 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -90.42 42.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 110.807 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -55.77 -53.08 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.52 123.31 1.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 p -119.88 -50.01 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.811 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -160.19 140.37 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.44 145.06 9.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 169.1 19.63 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.385 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.6 p -95.93 132.23 27.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.565 0.698 . . . . 0.0 111.169 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 164.33 34.95 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -146.5 138.78 25.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 m -153.61 135.01 14.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 14' ' ' LEU . 56.7 mt-10 -113.78 176.19 5.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -36.04 104.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 61' ' ' ALA . 11.0 p -126.21 133.48 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -96.66 149.66 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 146.66 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -134.61 147.92 50.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -87.71 110.9 20.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.4 m -142.92 -179.26 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -119.53 159.05 25.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -105.92 107.17 18.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' CD2' ' HG2' ' A' ' 45' ' ' MET . 5.4 mp -76.06 -35.98 59.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.11 -171.19 24.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.421 ' N ' HD21 ' A' ' 44' ' ' LEU . 11.1 tmm? -120.28 139.44 52.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.438 HD11 ' N ' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -144.96 118.27 5.5 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 110.908 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.438 ' N ' HD11 ' A' ' 26' ' ' LEU . 53.6 Cg_endo -69.81 146.08 58.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.09 159.67 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -90.57 -33.78 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -117.33 145.23 35.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.727 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.76 -31.69 20.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.3 m -130.54 151.56 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.82 94.42 0.34 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 34' ' ' MET . 1.4 mmt -44.16 -38.06 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -57.36 -40.11 77.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.412 ' O ' ' CB ' ' A' ' 39' ' ' SER . 60.0 m -74.14 -46.83 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 tp -43.56 -63.79 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -57.88 -21.65 44.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 36' ' ' THR . 1.9 t -65.41 -29.26 69.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.86 -32.01 19.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.4 mt -59.23 -61.42 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASN . 10.5 mt-10 -49.3 -55.65 12.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' GLU . 40.9 m-20 -35.3 -51.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.421 HD21 ' N ' ' A' ' 25' ' ' MET . 6.4 mt -71.93 -59.3 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.463 ' HG2' ' CD2' ' A' ' 23' ' ' LEU . 15.5 mtt -38.66 -38.09 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.6 p -74.46 -46.24 41.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 m -60.49 -54.39 46.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -108.22 146.99 32.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.573 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 28.0 m -88.28 167.3 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.812 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HA ' ' CD2' ' A' ' 53' ' ' TRP . 44.6 tttm -53.41 -44.41 68.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -71.21 -32.97 69.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.28 -34.38 72.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.573 ' CD1' ' O ' ' A' ' 49' ' ' SER . 4.7 m0 -64.42 112.65 8.2 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.55 0.69 . . . . 0.0 110.934 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 131.8 22.04 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.637 2.225 . . . . 0.0 112.401 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.1 m -68.1 124.79 24.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 m -136.34 168.19 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.55 126.77 51.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.0 ttm -94.2 108.88 20.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -92.99 114.16 26.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.8 t -114.37 98.82 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.451 ' N ' HG22 ' A' ' 15' ' ' VAL . . . -75.32 179.78 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -43.81 -60.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.58 37.15 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' ALA . 5.4 m -150.29 151.07 32.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.9 t -132.7 96.75 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.422 HG21 ' N ' ' A' ' 67' ' ' VAL . 13.8 m -100.67 144.88 29.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.422 ' N ' HG21 ' A' ' 66' ' ' THR . 54.9 t -108.92 119.09 57.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.6 mt -119.47 147.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.47 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 2.2 t -73.05 173.26 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.15 -38.87 21.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -68.4 -75.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.591 ' ND2' ' H ' ' A' ' 72' ' ' ASN . 0.1 OUTLIER -88.62 136.93 32.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -88.95 -16.11 32.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -87.21 -12.54 46.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -72.48 116.1 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.8 t -105.59 83.57 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.5 mt -50.97 -53.51 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 94.4 t -143.04 135.6 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -116.35 96.79 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.9 t -108.89 147.08 32.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' PHE . 2.1 mpt_? -118.34 123.89 46.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 81' ' ' ARG . 74.6 t -34.82 -49.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -52.1 -46.46 65.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' ARG . 4.7 m-85 -66.48 -29.95 70.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.474 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 2.5 tt -51.04 115.16 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -85.61 -50.2 7.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 2.7 t80 -148.75 142.28 25.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.46 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 8.2 ptp -138.36 145.31 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.54 -162.97 17.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.6 t -131.91 144.92 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.338 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.81 -169.55 23.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -45.46 -47.88 13.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -94.32 139.7 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.2 m -70.81 -11.57 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 7.3 m80 -77.34 -11.81 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.3 p -100.52 150.73 22.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -143.68 118.61 9.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -133.87 141.3 47.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 99' ' ' PHE . 12.8 p90 -136.16 144.21 44.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.8 mt -105.13 117.75 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.3 ptm -109.09 165.04 11.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -107.74 108.62 19.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.5 p -94.94 11.44 31.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -171.46 -132.2 1.45 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.444 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -92.28 -61.71 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.734 0.302 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.524 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 2.4 tt0 -113.53 -37.5 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.455 ' O ' ' CG ' ' A' ' 107' ' ' ARG . 8.9 ptm180 -60.52 116.71 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.818 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 4.1 m-85 -120.77 146.15 46.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -111.81 136.42 51.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 32.3 t -112.79 109.23 18.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -95.5 140.7 29.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 113' ' ' PHE . 6.5 t -119.42 148.06 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.422 ' N ' HG12 ' A' ' 112' ' ' VAL . 62.8 m-85 -151.25 128.98 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -80.08 119.3 22.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 13.6 m -92.53 165.73 12.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.493 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 21.9 mt-10 -151.62 128.65 5.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.646 0.736 . . . . 0.0 110.933 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.562 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 54.4 Cg_endo -69.72 -47.93 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.376 0.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.73 179.76 4.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -100.77 46.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.25 -62.25 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -58.86 -51.98 67.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 69.4 t -50.88 -52.19 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.0 m -65.36 -33.01 74.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -68.48 -38.93 81.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.18 73.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.63 -41.95 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -54.33 -50.87 66.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.71 -41.16 88.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.28 -36.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 74.6 m -49.92 -50.78 45.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 65.3 p -92.51 -50.75 5.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.15 -112.37 4.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.91 67.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 73.8 m -78.0 143.65 37.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.7 m -129.03 146.33 51.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.84 170.42 35.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.8 mm -115.57 127.89 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 111.175 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -113.46 139.27 49.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.09 123.52 3.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.54 157.61 23.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 110.834 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -90.55 97.49 2.33 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.4 t -117.71 149.93 39.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.5 t -155.4 118.74 4.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 135.06 148.91 5.76 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 68.4 m -102.06 42.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 75.7 m -144.64 174.47 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -163.41 156.91 28.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.517 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.8 t -120.7 155.03 34.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.0 t -97.16 150.7 20.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.795 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -64.72 133.51 37.86 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 92.5 p -154.49 150.03 27.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 5.0 m -60.72 119.57 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 165.88 -54.41 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.08 176.52 2.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -125.16 146.52 49.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -164.01 109.42 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 11.3 p -74.18 137.64 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.405 ' C ' ' H ' ' A' ' 160' ' ' GLU . 6.3 t -47.83 130.17 11.52 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.595 0.712 . . . . 0.0 111.147 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 7.0 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 158' ' ' THR . 0.5 OUTLIER -85.07 -55.77 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -59.58 -40.67 88.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -49.29 -45.93 45.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -74.13 -56.08 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 30.8 mt -42.28 -53.58 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 87.3 p -54.32 -46.13 72.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -56.69 -32.6 65.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 85.8 mmm -70.97 -54.7 10.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -68.48 -18.93 64.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -79.02 -70.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -109.91 -31.53 7.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 84.69 -166.99 41.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -127.1 129.57 48.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.913 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' ASN . 20.9 mp0 -105.86 106.5 17.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.593 ' ND2' ' CG2' ' A' ' 176' ' ' THR . 26.8 t30 -37.99 122.1 1.02 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.632 0.729 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -36.0 11.6 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.593 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 10.5 t -63.99 -18.68 64.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -108.59 65.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 179' ' ' PHE . 22.5 ttpp -83.99 -75.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' A' ' 178' ' ' LYS . 4.4 t80 33.36 51.71 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.421 ' CD2' ' HD2' ' A' ' 178' ' ' LYS . 1.3 p90 -60.27 -174.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -129.54 68.3 1.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -113.31 44.74 1.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 80.7 mtp -46.3 129.37 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -126.88 139.1 53.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.915 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m -159.02 110.57 2.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.913 0.387 . . . . 0.0 110.833 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -80.81 175.1 10.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.24 151.83 10.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -160.53 171.6 18.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.884 0.374 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -161.03 147.34 14.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.84 62.3 0.75 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.26 24.93 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.9 m -112.05 96.08 32.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.582 0.706 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 124.74 11.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -140.06 123.05 16.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.9 p -113.81 98.52 7.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -124.51 162.05 24.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.413 HD11 ' C ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -89.33 101.41 14.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.99 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.447 HG23 ' CA ' ' A' ' 61' ' ' ALA . 9.6 p -130.39 135.8 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -98.64 140.3 33.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.13 144.42 45.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -133.53 148.16 51.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -88.83 110.2 20.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 m -141.81 -175.56 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -121.73 160.41 24.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -112.47 117.5 32.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 mp -82.92 -44.14 15.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.17 177.77 21.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.443 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.1 ttp -102.63 140.36 37.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.16 118.24 4.25 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.614 0.721 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.61 45.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.4 m -109.92 154.95 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.84 -44.13 28.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 30' ' ' ARG . 2.0 mpt_? -116.57 147.06 38.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.554 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.75 -12.23 32.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.376 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 m -141.97 166.51 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.63 103.24 2.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.1 mmt -49.72 -41.33 43.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -54.56 -26.56 32.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.6 m -91.04 -45.8 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 tt -57.24 -45.45 83.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.95 -48.16 72.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.4 t -44.42 -28.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.86 -37.85 21.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.7 mt -52.49 -57.06 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' ASN . 10.7 mt-10 -53.23 -52.37 59.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLU . 74.6 m-20 -37.32 -41.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.4 mt -79.04 -54.94 5.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.463 ' HE2' ' CH2' ' A' ' 53' ' ' TRP . 2.8 mtt -44.99 -41.49 7.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.2 p -60.97 -41.36 96.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.5 m -62.73 -66.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.4 m -109.34 150.18 28.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 56.5 m -81.91 164.08 21.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.838 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' CH2' ' A' ' 53' ' ' TRP . 1.7 tmtp? -48.09 -59.46 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -68.49 -23.33 64.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' HB3' ' N ' ' A' ' 49' ' ' SER . 12.3 t0 -65.85 -24.28 66.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.576 ' CH2' ' HA ' ' A' ' 50' ' ' LYS . 5.2 m0 -71.57 132.43 85.5 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.582 0.705 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.68 28.52 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.3 m -72.57 123.85 24.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.1 m -128.24 -177.95 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -124.2 127.13 47.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.561 ' HE1' ' CD1' ' A' ' 113' ' ' PHE . 20.7 tpp -94.12 116.13 28.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -104.49 123.78 48.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.6 t -115.04 98.46 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.447 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -90.96 -178.08 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.071 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.4 102.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 52.93 37.79 25.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.061 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.0 m -151.46 148.6 28.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 82.2 t -133.63 101.16 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.3 m -100.73 134.21 44.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.1 t -100.95 111.15 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.1 mt -106.79 153.51 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 t -83.78 155.12 23.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -68.17 -43.98 76.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -55.45 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' ND2' ' HB2' ' A' ' 75' ' ' GLU . 3.0 p30 -103.47 161.0 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -100.37 -33.66 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.414 ' N ' ' HG2' ' A' ' 73' ' ' GLU . 11.1 pt-20 -68.4 -31.67 71.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.43 ' HB2' ' ND2' ' A' ' 72' ' ' ASN . 15.2 tp10 -54.87 113.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.46 80.5 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.4 mt -42.65 -59.16 2.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 79' ' ' GLU . 98.8 t -148.7 134.31 11.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' N ' HG12 ' A' ' 78' ' ' VAL . 16.8 tt0 -107.69 97.17 6.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.6 t -104.36 146.07 29.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 82' ' ' VAL . 35.9 mtt180 -131.14 121.83 25.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.496 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 22.0 t -36.32 -50.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.4 OUTLIER -37.01 -57.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 85' ' ' LEU . 38.1 m-85 -66.06 -41.53 90.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 84' ' ' PHE . 2.6 tt -34.31 109.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.9 p -86.14 -37.36 18.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 172' ' ' TYR . 72.8 t80 -163.87 147.4 9.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.442 ' CE ' ' SG ' ' A' ' 130' ' ' CYS . 6.3 ptp -139.66 148.77 42.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.67 -169.79 30.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 95.3 t -123.87 142.89 39.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 111.102 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.22 -151.73 0.7 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -62.81 -43.47 98.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.03 128.66 45.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.7 m -53.56 -27.43 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 2.1 m80 -60.22 -31.66 70.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 65.1 p -78.15 154.87 30.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -152.07 114.87 4.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.83 146.5 50.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 111' ' ' HIS . 22.0 p90 -140.53 140.17 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.4 mt -97.59 121.19 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.9 ptm -121.89 158.33 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.38 118.41 29.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.3 p -127.99 38.67 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 143.09 -140.32 9.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 107' ' ' ARG . 68.4 m-20 -64.01 -175.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.776 0.322 . . . . 0.0 110.871 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -40.43 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 105' ' ' ASN . 10.6 mtp-105 -66.62 99.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 7.8 m-85 -95.09 147.85 22.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -105.45 153.86 21.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 50.6 t -129.14 113.39 15.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 97.3 m-70 -93.33 127.01 38.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.5 t -108.98 139.3 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.561 ' CD1' ' HE1' ' A' ' 58' ' ' MET . 23.0 m-85 -141.95 130.77 22.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -81.29 122.76 27.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 74.5 m -93.03 168.68 10.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.453 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 26.2 mt-10 -153.66 124.66 3.55 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.583 0.706 . . . . 0.0 110.878 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.597 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 54.1 Cg_endo -69.76 -50.82 0.17 OUTLIER 'Cis proline' 0 C--N 1.34 0.13 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.34 0.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.39 179.12 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.416 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -96.17 42.7 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.076 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -82.55 -55.81 4.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -60.22 -57.39 13.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 95.7 t -51.08 -56.03 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.7 m -59.73 -42.86 94.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.77 -33.86 68.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.76 -58.95 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.3 p -54.44 -37.3 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -58.15 -47.08 84.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.02 83.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.061 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -44.17 -33.5 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.442 ' SG ' ' CE ' ' A' ' 88' ' ' MET . 55.8 m -71.99 -42.7 66.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.7 t 71.0 35.16 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.42 -173.22 25.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 99.33 0.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.728 2.285 . . . . 0.0 112.338 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.4 t -96.61 142.96 28.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.4 m -136.04 150.01 49.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 64.27 76.24 0.31 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 38.4 mt -84.76 52.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.37 168.77 3.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.05 -60.34 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.97 149.83 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -72.47 -140.87 0.37 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 32.5 t -49.91 160.13 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.915 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.6 p -68.73 126.18 28.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 113.31 98.14 2.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.8 t -110.85 136.65 49.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.834 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.2 m -167.97 157.02 9.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 157.05 114.37 0.43 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 66.8 m -106.97 110.12 22.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.4 m -146.43 156.3 43.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -99.89 -95.5 2.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.3 m -72.22 97.61 2.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 58.6 p -150.04 168.39 24.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -111.27 -162.66 17.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -65.8 108.5 2.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.359 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -86.14 -3.28 58.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -174.58 109.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.403 HG21 ' N ' ' A' ' 158' ' ' THR . 5.9 p -39.16 134.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.403 ' N ' HG21 ' A' ' 157' ' ' VAL . 10.1 t -75.93 141.91 72.16 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.64 0.734 . . . . 0.0 111.108 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 3.34 2.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -87.39 -35.14 18.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -84.17 -44.14 14.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -48.46 -39.39 22.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -75.85 -46.79 28.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . 0.416 HD21 ' C ' ' A' ' 119' ' ' ALA . 18.5 mt -55.24 -50.34 69.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 168' ' ' GLN . 72.6 p -57.83 -48.61 79.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -48.19 -44.46 32.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 4.2 mtp -53.93 -55.19 29.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 165' ' ' SER . 2.8 pt20 -66.07 -27.89 68.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -68.54 -63.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -116.19 -36.18 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 86.49 -167.57 39.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . 0.476 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 64.4 t80 -131.15 134.11 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.948 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -112.62 118.08 34.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.551 ' ND2' ' CG2' ' A' ' 176' ' ' THR . 10.6 t-20 -54.77 118.71 17.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 -16.93 37.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.315 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.551 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 8.8 t -70.75 -35.45 72.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . 0.45 ' O ' ' CD2' ' A' ' 179' ' ' PHE . 0.6 OUTLIER -88.71 71.97 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . 0.572 ' HD3' ' CZ ' ' A' ' 180' ' ' PHE . 2.6 pptp? -72.58 131.27 42.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.945 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 177' ' ' TYR . 2.5 p90 -135.0 76.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.572 ' CZ ' ' HD3' ' A' ' 178' ' ' LYS . 0.3 OUTLIER -112.63 170.9 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 182' ' ' GLN . 21.3 mp0 -109.9 39.46 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 184' ' ' GLN . 2.0 pp0? -36.38 -46.71 0.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.39 95.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 182' ' ' GLN . 9.4 pt20 -139.32 163.99 31.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 8.3 p30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -141.1 147.77 39.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.917 0.389 . . . . 0.0 110.823 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.7 p -161.81 152.45 17.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.43 123.21 1.57 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 p -156.41 132.08 9.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.832 0.349 . . . . 0.0 110.866 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 t -173.91 118.63 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.25 115.09 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.482 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -178.59 2.41 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.2 m -117.36 122.17 31.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 111.17 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 143.07 49.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.32 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -83.64 107.65 16.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.5 p -54.06 101.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -112.42 152.38 28.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.82 103.34 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 61' ' ' ALA . 9.1 p -109.41 143.35 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -102.61 144.86 30.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.08 146.73 36.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -134.93 130.45 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -69.78 110.48 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.5 m -142.28 -177.9 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -130.18 146.64 51.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -96.53 124.51 40.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 6.3 mp -90.49 -41.51 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.54 -178.99 28.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.489 ' CG ' ' OE2' ' A' ' 109' ' ' GLU . 9.1 tmm? -107.04 138.96 42.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 27' ' ' PRO . 0.6 OUTLIER -143.68 115.68 5.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.921 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.473 ' N ' HD12 ' A' ' 26' ' ' LEU . 53.9 Cg_endo -69.74 144.12 53.11 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.2 m -118.15 159.59 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -90.31 -39.4 12.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -118.64 144.82 36.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -36.0 11.7 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.752 2.301 . . . . 0.0 112.303 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.38 149.66 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.28 103.98 1.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.448 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 mmt -52.1 -30.66 27.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.01 -26.25 68.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 m -93.81 -45.94 7.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 100' ' ' ILE . 8.7 tt -56.06 -46.03 79.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -71.87 -42.93 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.4 t -54.65 -17.79 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.803 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.9 -39.18 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.2 mt -53.52 -60.13 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 44' ' ' LEU . 16.3 mm-40 -55.89 -54.18 47.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' GLU . 76.7 m-20 -34.75 -34.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' GLU . 39.8 mt -89.98 -44.86 9.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.474 ' HE2' ' CH2' ' A' ' 53' ' ' TRP . 3.0 mtt -54.44 -47.64 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.2 t -54.24 -36.8 63.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.0 p -81.12 -63.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -95.15 139.36 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.578 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 5.9 m -93.65 176.88 6.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.5 tttt -52.72 -46.39 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.73 -37.47 79.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -57.31 -28.58 63.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 49' ' ' SER . 3.1 m0 -77.59 112.66 25.72 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 141.29 44.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.1 m -69.31 126.38 29.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.9 m -136.3 169.04 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.59 117.67 32.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.5 ttm -86.1 107.58 17.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -92.99 103.48 15.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.7 t -102.09 98.84 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -71.01 -177.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.414 ' CG ' ' N ' ' A' ' 63' ' ' ALA . 8.6 p-10 -53.2 -53.01 56.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.414 ' N ' ' CG ' ' A' ' 62' ' ' ASP . . . -130.76 39.77 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 61' ' ' ALA . 5.6 m -160.01 147.81 16.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.7 t -127.49 100.33 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.401 ' CG2' HG22 ' A' ' 76' ' ' VAL . 18.0 m -107.1 146.47 31.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.9 t -111.41 113.66 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.446 ' CG2' ' HA ' ' A' ' 73' ' ' GLU . 72.9 mt -107.13 143.03 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 t -85.25 133.95 34.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -53.5 -33.44 54.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -54.19 -43.35 70.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.444 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 3.1 m-80 -153.67 147.88 25.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.446 ' HA ' ' CG2' ' A' ' 68' ' ' ILE . 28.2 tt0 -74.24 -28.77 61.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -83.35 3.28 32.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -97.54 83.16 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.401 HG22 ' CG2' ' A' ' 66' ' ' THR . 11.2 p -86.1 110.55 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 mt -73.52 -47.23 42.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.454 HG13 ' CE1' ' A' ' 111' ' ' HIS . 90.5 t -142.51 139.55 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.42 ' N ' HG12 ' A' ' 78' ' ' VAL . 22.7 tt0 -121.73 99.68 6.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.6 t -109.79 147.63 32.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' PHE . 24.5 ttt180 -127.3 136.37 51.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.6 t -37.85 -51.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -54.81 -40.54 69.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ARG . 12.7 m-85 -72.54 -24.15 61.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.462 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 2.3 tt -69.6 107.39 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 71.5 p -77.32 -49.01 15.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -158.16 133.88 9.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.94 170.28 8.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.52 175.54 44.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.3 t -126.52 151.88 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 111.117 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -80.55 -172.59 45.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -50.25 -44.21 53.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -90.13 126.29 35.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.1 m -59.87 -14.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 21.6 m80 -70.8 -33.88 71.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.7 p -80.17 155.63 27.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -155.05 116.37 4.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -129.27 158.39 39.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -151.67 142.93 23.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.463 ' CD1' HD11 ' A' ' 37' ' ' LEU . 5.1 mp -97.08 120.79 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.454 ' HE3' ' CG2' ' A' ' 103' ' ' THR . 5.8 ptm -115.8 170.4 8.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -112.62 108.3 17.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.454 ' CG2' ' HE3' ' A' ' 101' ' ' MET . 72.5 p -98.49 43.27 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.209 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 163.05 -105.35 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -131.33 -68.58 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.312 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.43 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 4.7 tp-100 -98.9 -46.4 5.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -57.78 125.69 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 11.8 m-85 -120.79 135.32 55.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.595 ' OE2' ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -109.94 138.31 46.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 19.8 t -108.6 128.92 55.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.595 ' CE1' ' OE2' ' A' ' 109' ' ' GLU . 83.1 m-70 -108.8 143.34 38.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 41.4 t -124.26 128.41 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 53.2 m-85 -135.46 132.55 37.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -85.77 137.69 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 83.7 m -122.99 147.79 46.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.6 pp20? -138.42 132.16 16.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.659 0.743 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.8 Cg_endo -69.75 -47.41 0.31 Allowed 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.344 0.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -124.55 -178.28 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -105.96 50.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.86 -58.01 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -64.09 -37.8 88.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.92 -64.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.6 m -55.46 -43.14 75.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -60.31 -39.95 88.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.59 -54.73 17.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.11 -39.66 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -63.93 -55.16 24.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.05 98.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -42.83 -29.95 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 74.8 m -69.3 -54.72 13.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 95.9 p -85.31 33.34 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -47.77 -66.17 2.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -33.96 15.62 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 28.9 t -70.01 124.68 24.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 16.3 m -113.57 175.42 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 133.73 111.44 1.24 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 138' ' ' GLU . 49.8 mm -118.72 143.25 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 111.142 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.465 ' N ' HG23 ' A' ' 137' ' ' ILE . 5.2 mm-40 -113.58 129.29 56.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.85 48.1 0.78 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -124.01 166.88 14.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 116.92 77.54 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.5 m -99.57 42.25 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.8 t -104.06 140.3 37.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.89 91.14 0.37 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 26.1 m -144.54 148.87 34.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 29.3 t -154.1 143.83 21.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -104.53 42.75 1.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 13.5 m -115.23 175.26 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.1 m -153.39 124.67 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -81.21 -174.01 48.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 85.1 p -119.84 -45.11 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 56.4 m -84.51 106.53 16.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 170.25 -88.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.7 t70 59.37 42.78 17.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -138.82 171.96 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -171.37 107.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.97 139.71 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.47 ' CG2' ' HG3' ' A' ' 161' ' ' GLU . 9.7 t -84.49 142.03 39.79 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.586 0.708 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . 0.413 ' C ' ' HG2' ' A' ' 162' ' ' ARG . 53.9 Cg_endo -69.75 3.21 2.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -86.15 -49.06 8.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 158' ' ' THR . 9.8 mt-10 -66.38 -48.37 70.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 161' ' ' GLU . 10.2 ptm180 -36.01 -35.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 166' ' ' LYS . 2.1 t60 -91.64 -57.19 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 8.8 mt -40.14 -47.32 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 66.4 p -57.1 -38.43 73.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 163' ' ' HIS . 0.8 OUTLIER -53.6 -51.32 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 73.8 mmm -49.37 -59.15 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.84 -28.84 69.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -62.22 -68.83 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -122.43 -32.94 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 89.78 173.17 45.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -108.81 123.25 48.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.83 111.78 23.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 85' ' ' LEU . 38.1 t30 -47.24 120.11 6.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.619 0.723 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -46.61 1.17 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.41 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 7.3 t -52.38 -31.45 33.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -101.78 54.05 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' A' ' 178' ' ' LYS . 1.5 tmmt? -89.37 115.52 26.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.422 ' O ' ' CG ' ' A' ' 179' ' ' PHE . 12.1 p90 -149.63 117.16 6.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -123.66 -178.57 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -110.58 20.76 17.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -61.47 -53.26 58.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 32.9 mmt -62.85 133.55 54.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -96.34 84.96 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.951 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -85.55 136.28 33.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -128.56 114.05 16.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.37 136.27 13.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -166.36 151.74 8.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 7' ' ' GLY . 34.4 t -84.65 79.58 9.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.12 -98.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 151.43 69.29 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.63 133.19 29.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 111.097 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 158.94 55.22 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.643 2.229 . . . . 0.0 112.393 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -119.29 150.2 40.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.6 p -92.92 98.97 11.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -101.11 148.43 25.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.13 97.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p -138.41 146.08 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -115.12 126.37 54.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -102.44 138.72 38.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -129.05 142.94 50.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.91 115.79 12.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.9 m -140.9 -175.24 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -129.83 159.86 35.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -104.31 114.91 29.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.508 HD23 ' CH2' ' A' ' 53' ' ' TRP . 5.1 mp -92.67 -34.39 13.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.26 -176.82 21.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.1 ttp -122.71 136.34 54.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.7 116.96 18.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 138.39 37.77 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.65 2.234 . . . . 0.0 112.367 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.0 m -137.43 171.17 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -113.63 -36.76 4.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -73.07 116.44 50.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.424 ' C ' HG12 ' A' ' 32' ' ' VAL . 54.3 Cg_endo -69.72 -17.38 37.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 0.0 112.378 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.424 HG12 ' C ' ' A' ' 31' ' ' PRO . 32.2 m -146.73 171.76 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.89 110.64 3.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.8 mmt -57.21 -29.75 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -61.7 -30.78 70.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.4 m -87.3 -51.09 6.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.8 tt -48.06 -50.68 27.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -63.27 -42.94 99.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -49.45 -23.35 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.35 -30.48 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.91 -63.0 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -50.39 -42.46 53.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -46.03 -43.56 14.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' SER . 8.8 mt -82.48 -56.47 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 23' ' ' LEU . 15.9 mtp -38.64 -33.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 77.3 p -81.91 -41.2 21.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.116 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' LEU . 45.3 m -42.86 -60.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -120.49 -176.46 3.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.435 ' O ' ' NE1' ' A' ' 53' ' ' TRP . 23.5 m -95.65 172.39 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.567 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 17.6 tptp -66.9 -38.98 87.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -71.32 -30.44 66.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -63.97 -22.52 66.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 8.7 m0 -78.77 124.99 84.93 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.586 0.707 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 169.76 18.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.2 p -109.47 111.31 22.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 m -122.34 167.63 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -105.02 120.86 42.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.415 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 15.1 tpp -85.01 111.21 19.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -92.68 108.97 20.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.8 t -107.0 99.32 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.22 175.66 7.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 129' ' ' ALA . 74.5 m-20 -42.43 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -116.41 41.71 2.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.3 m -162.23 136.43 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.1 t -124.77 102.45 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.8 m -102.42 150.7 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.7 t -112.73 107.52 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 53.7 mt -104.39 145.46 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.457 ' CB ' ' HG2' ' A' ' 75' ' ' GLU . 0.9 OUTLIER -81.55 160.66 23.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -83.95 28.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -120.2 -41.89 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -149.8 142.75 24.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.84 -31.48 72.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.495 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 3.2 pm0 -83.51 0.93 44.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.457 ' HG2' ' CB ' ' A' ' 69' ' ' SER . 5.0 tp10 -87.19 81.94 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.2 p -89.3 121.48 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.88 -40.77 8.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 91.5 t -142.08 124.74 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -112.81 98.47 7.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.4 t -105.34 147.82 27.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -128.67 136.08 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.434 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 6.9 m -49.11 -43.8 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -46.88 -26.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -98.05 -35.91 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.411 HD21 ' C ' ' A' ' 85' ' ' LEU . 2.7 tt -45.14 114.27 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.2 p -89.67 -43.68 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -157.72 141.32 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.0 ptp -130.09 153.38 48.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.27 172.89 45.76 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 73.3 t -107.65 144.65 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 111.165 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.48 -161.42 3.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -57.33 -35.37 69.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -101.44 129.68 47.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 m -57.63 -32.75 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -58.74 -27.83 65.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 64.0 p -87.14 156.28 19.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -157.13 113.88 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -121.64 148.03 45.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -136.58 141.2 43.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.1 mt -98.51 122.8 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.7 ptm -116.23 155.66 27.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.547 ' OD2' ' CZ ' ' A' ' 177' ' ' TYR . 0.8 OUTLIER -101.59 112.73 25.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.817 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.9 p -90.82 -45.76 8.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -109.95 -115.14 3.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -109.89 -58.0 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.811 0.339 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.443 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 22.2 mt-30 -110.53 -40.59 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -58.39 118.38 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.443 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 9.6 m-85 -115.55 140.33 49.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -108.18 131.0 55.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.5 t -109.72 113.97 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 113' ' ' PHE . 96.8 m-70 -94.72 152.34 18.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 29.9 t -127.3 137.02 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.435 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 46.5 m-85 -146.19 126.14 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -80.47 119.8 23.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 82.9 m -91.13 161.49 15.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.489 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 6.4 mm-40 -144.85 129.43 9.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.692 0.758 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.7 Cg_endo -69.77 -48.57 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.361 -0.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -125.44 -177.64 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.401 ' C ' HD22 ' A' ' 164' ' ' LEU . . . -98.01 43.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.414 ' N ' HD21 ' A' ' 164' ' ' LEU . . . -82.33 -48.95 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -80.07 -39.21 30.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 71.1 t -56.1 -64.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 19.5 m -59.77 -37.03 77.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -62.23 -39.37 92.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.11 -60.63 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.4 p -53.53 -38.54 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.82 -55.83 29.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.98 -44.33 89.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 62' ' ' ASP . . . -40.33 -49.71 2.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 129' ' ' ALA . 95.8 m -34.37 -40.3 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.3 m -106.17 -48.63 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 150.85 -167.34 30.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 106.68 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.262 . . . . 0.0 112.342 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 t -111.37 131.93 54.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 84.3 p -65.54 97.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 47.86 -128.5 16.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.456 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 60.5 mt -105.98 129.73 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -58.64 -56.05 27.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 130.92 148.52 6.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 4.8 mtp-105 -121.64 146.97 46.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 54.05 169.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 73.7 m -157.06 123.26 4.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 34.8 t -167.29 155.14 9.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 113.99 157.34 12.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 54.1 p -123.01 -44.02 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.818 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.8 m -141.85 145.2 34.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -65.67 127.86 31.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.0 t -111.26 117.62 33.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 42.3 m -50.82 145.57 6.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -127.38 141.45 12.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 23.0 t -53.01 156.16 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.823 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 16.1 m -96.15 100.33 11.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 164.09 87.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -157.61 158.19 35.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -38.35 155.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.24 95.31 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 8.4 p -113.91 151.36 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.402 ' CG2' ' HG3' ' A' ' 161' ' ' GLU . 9.2 t -81.87 142.05 48.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.606 0.717 . . . . 0.0 111.086 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -5.53 16.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -72.01 -46.65 56.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.402 ' HG3' ' CG2' ' A' ' 158' ' ' THR . 12.0 mt-10 -71.45 -46.82 59.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -38.61 -33.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -91.22 -50.81 5.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . 0.414 HD21 ' N ' ' A' ' 120' ' ' ALA . 13.9 mt -48.2 -32.64 7.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 9.8 p -72.3 -52.03 18.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -46.44 -37.71 8.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 2.6 mmt -60.97 -45.6 94.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -77.27 -26.65 52.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -65.46 -74.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -111.61 -39.48 4.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 95.05 -148.5 19.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -143.13 118.56 10.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -100.48 110.88 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 37.9 t-20 -50.52 119.63 11.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -14.76 36.57 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.716 2.278 . . . . 0.0 112.33 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 177' ' ' TYR . 3.7 t -84.84 -28.11 26.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . 0.547 ' CZ ' ' OD2' ' A' ' 102' ' ' ASP . 0.3 OUTLIER -122.68 85.27 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -115.6 130.19 56.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -128.96 52.22 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -83.54 174.75 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -126.94 67.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 183' ' ' MET . 13.6 pt20 -55.52 -39.43 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' MET . . . . . 0.465 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 2.3 ptt? -130.73 138.46 49.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -171.07 113.0 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -72.16 167.02 21.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t 56.39 41.52 28.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.44 137.56 9.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m -101.33 155.31 18.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -132.03 136.78 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.06 79.65 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 163.45 38.21 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.488 ' C ' ' H ' ' A' ' 11' ' ' LYS . 48.5 p -39.61 146.8 0.35 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.562 0.696 . . . . 0.0 111.088 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 17.07 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' A' ' 9' ' ' THR . 17.3 ttmt -46.63 110.79 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.7 p -119.18 134.44 55.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -126.12 166.12 17.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.11 137.99 39.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.461 HG23 ' CA ' ' A' ' 61' ' ' ALA . 9.2 p -138.24 129.51 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -96.61 144.72 26.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.12 149.9 36.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -134.93 140.11 45.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -82.78 104.41 13.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.0 m -139.56 -176.75 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -119.21 164.99 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.433 ' CD1' ' CE2' ' A' ' 113' ' ' PHE . 10.4 t80 -115.58 108.35 16.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mp -74.74 -44.0 52.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.81 176.03 21.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' A' ' 26' ' ' LEU . 12.2 tmm? -102.67 145.04 30.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.478 ' N ' ' SD ' ' A' ' 25' ' ' MET . 0.4 OUTLIER -144.35 117.96 5.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 110.911 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.8 48.84 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.713 2.275 . . . . 0.0 112.332 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.6 m -126.86 150.98 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -105.59 15.65 26.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -137.49 133.32 18.02 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.561 0.696 . . . . 0.0 110.895 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -32.91 17.52 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.7 m -140.35 173.92 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.46 107.63 2.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.0 mmm -55.15 -38.62 68.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -49.74 -38.62 34.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 98.0 m -79.32 -44.19 22.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.201 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.449 ' CD2' HD12 ' A' ' 41' ' ' ILE . 10.3 tt -53.86 -48.24 70.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -64.88 -40.4 95.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -58.44 -23.11 56.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.78 -28.35 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.449 HD12 ' CD2' ' A' ' 37' ' ' LEU . 81.6 mt -67.73 -59.22 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -53.91 -46.8 71.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -40.5 -44.19 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mt -80.28 -56.16 4.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.2 mtt -39.07 -36.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -72.75 -51.14 20.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 m -55.73 -58.51 7.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.5 m -106.85 152.61 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.444 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 25.2 m -93.86 176.05 6.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.524 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 20.5 tptp -59.69 -48.85 80.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -70.27 -21.33 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -71.44 -25.36 62.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.524 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 5.2 m0 -77.7 116.27 56.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.565 0.697 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 140.03 41.66 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.64 2.226 . . . . 0.0 112.358 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 m -72.87 127.76 33.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.4 m -135.4 169.05 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -106.42 118.36 36.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.1 ttm -87.61 103.83 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.453 ' ND2' ' CD1' ' A' ' 68' ' ' ILE . 3.1 m-80 -92.01 103.86 16.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.7 t -106.03 100.53 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.461 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -78.52 171.7 14.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ALA . 8.3 m-20 -35.31 -65.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -124.35 39.54 3.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.064 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ALA . 19.5 m -150.82 148.11 28.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 95.0 t -132.58 100.5 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.122 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.6 m -112.02 134.55 53.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 94.0 t -99.01 114.82 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.453 ' CD1' ' ND2' ' A' ' 59' ' ' ASN . 75.3 mt -104.66 149.85 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.7 t -87.93 157.73 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.99 -39.24 61.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -51.78 -59.32 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -124.14 147.54 47.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -82.6 -26.91 31.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -85.15 10.04 13.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -92.37 111.94 23.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.9 t -95.84 90.62 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 62.7 mt -57.41 -50.0 74.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 79' ' ' GLU . 98.2 t -148.14 136.44 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.418 ' N ' HG11 ' A' ' 78' ' ' VAL . 32.7 tt0 -112.94 96.23 5.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.409 ' SG ' ' CB ' ' A' ' 101' ' ' MET . 32.9 t -113.25 142.18 46.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 82' ' ' VAL . 40.1 mtt180 -123.37 130.07 52.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 92.8 t -34.48 -58.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.435 ' NH2' ' CZ ' ' A' ' 84' ' ' PHE . 9.2 ptt85 -40.42 -43.86 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.435 ' CZ ' ' NH2' ' A' ' 83' ' ' ARG . 12.3 m-85 -70.95 -39.93 72.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.427 ' CD1' ' HE2' ' A' ' 88' ' ' MET . 3.3 tt -41.19 121.4 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.42 ' N ' HD21 ' A' ' 85' ' ' LEU . 48.1 p -96.37 -53.35 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -153.63 135.17 14.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.427 ' HE2' ' CD1' ' A' ' 85' ' ' LEU . 6.8 ptp -125.46 163.06 23.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.9 -165.93 32.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.443 HG11 ' N ' ' A' ' 91' ' ' GLY . 79.0 t -130.8 140.44 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.933 0.397 . . . . 0.0 111.087 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.443 ' N ' HG11 ' A' ' 90' ' ' VAL . . . -69.83 -170.79 8.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.472 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -49.69 -37.89 30.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.13 129.0 49.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 m -56.65 -35.73 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -51.37 -27.23 9.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.2 p -85.53 159.79 19.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -158.18 116.35 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -129.0 151.59 49.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -141.33 141.42 33.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.2 mt -97.66 122.16 48.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.409 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER -119.44 158.97 25.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.457 ' OD2' ' CE2' ' A' ' 177' ' ' TYR . 0.9 OUTLIER -104.35 110.22 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.3 p -77.28 -46.23 23.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.38 -99.94 2.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -123.12 -53.37 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.757 0.313 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.527 ' O ' ' CZ ' ' A' ' 108' ' ' PHE . 34.8 mt-30 -111.37 -41.19 4.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 43.2 mtt85 -60.82 108.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.527 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 4.7 m-85 -108.63 139.64 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -111.75 133.87 53.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 17.4 t -108.62 113.45 26.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -99.59 133.43 43.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.6 t -116.49 141.84 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.433 ' CE2' ' CD1' ' A' ' 22' ' ' TYR . 43.4 m-85 -143.99 140.59 29.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.505 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 45.9 t-105 -86.13 117.9 25.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 80.7 m -89.87 157.81 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.481 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.4 mm-40 -143.16 127.93 9.76 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.655 0.74 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.8 Cg_endo -69.74 -49.37 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.328 0.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.06 -176.45 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -101.11 46.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.08 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.65 -43.18 12.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -79.65 -52.59 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 94.8 t -51.42 -59.57 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.8 t -57.62 -42.14 82.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -62.88 -35.35 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.03 -49.57 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 127' ' ' GLN . 10.2 p -68.33 -39.6 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.454 ' N ' HG13 ' A' ' 126' ' ' VAL . 39.5 tt0 -57.48 -53.92 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.64 97.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.59 -41.95 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 79.6 m -48.09 -60.34 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.2 t -89.07 -56.15 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 134.94 172.81 12.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -18.06 37.21 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.244 . . . . 0.0 112.355 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 85.5 p -66.69 -50.57 62.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.9 t -75.18 135.32 41.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -179.72 156.83 19.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.5 mm -77.26 115.25 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -39.4 -60.36 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 149.23 46.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.73 119.73 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.903 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -120.31 49.32 0.88 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 t -61.37 146.85 46.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.903 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.3 t -108.33 -51.57 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 40.81 58.14 2.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.5 t -107.92 140.8 40.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.9 t -122.6 117.84 26.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.39 160.23 12.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.8 m -106.85 97.33 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.856 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 23.0 m -85.28 43.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 95.51 -148.19 18.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 67.0 p -86.84 40.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.8 m -134.35 172.1 13.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 171.18 -67.08 0.14 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -129.41 122.09 28.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.777 0.322 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -73.25 154.17 40.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -102.32 26.41 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 58.4 t -38.7 121.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 13.1 t -54.45 141.12 54.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.634 0.731 . . . . 0.0 111.13 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 5.11 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.33 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -82.32 -45.55 14.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -82.57 -36.38 26.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -59.68 -35.46 74.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -81.8 -55.02 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 26.2 mt -39.18 -36.78 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 54.5 m -69.18 -48.35 62.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -40.29 -42.27 1.5 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 46.2 mmm -65.47 -50.89 63.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -66.47 -17.46 64.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -83.71 -73.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -104.56 -45.61 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 100.46 -148.67 18.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -145.49 130.66 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -115.12 112.13 22.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.492 ' ND2' ' CG2' ' A' ' 176' ' ' THR . 13.1 t-20 -57.74 118.56 26.84 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.587 0.708 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -27.64 26.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.321 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.492 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 9.7 t -58.4 -42.02 86.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . 0.457 ' CE2' ' OD2' ' A' ' 102' ' ' ASP . 0.4 OUTLIER -105.11 58.16 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -95.51 63.36 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -115.97 49.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -73.52 173.15 10.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -128.51 68.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -120.84 -47.68 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 10.5 ptm -39.21 145.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -69.2 114.19 7.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 29.8 t30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -165.29 170.3 14.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 m -124.37 171.46 9.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.73 162.98 14.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.9 p -171.17 170.12 6.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 m -143.24 112.25 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.94 143.45 5.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 146.52 60.59 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.72 2.28 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p -42.03 154.02 0.27 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.553 0.692 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 125.26 11.94 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -92.72 123.59 36.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.6 t -142.33 142.69 32.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -53.82 163.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.55 100.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.416 HG23 ' C ' ' A' ' 60' ' ' VAL . 9.5 p -108.18 152.5 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -107.79 124.84 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -98.78 135.91 39.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -118.71 135.91 54.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -77.26 107.59 9.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.1 m -139.48 178.37 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -113.42 156.27 23.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -110.33 109.25 19.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.977 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 6.3 mp -76.62 -49.36 16.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.46 -171.53 37.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.8 ttp -119.17 128.85 54.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -139.21 117.5 8.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.928 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.442 ' N ' HD13 ' A' ' 26' ' ' LEU . 53.7 Cg_endo -69.82 160.18 50.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 m -121.85 -177.62 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -116.96 -37.61 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -109.82 143.58 28.19 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.629 0.728 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -32.22 18.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.472 HG12 ' CB ' ' A' ' 173' ' ' GLU . 28.5 m -129.87 145.59 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.44 118.92 2.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.7 mmt -64.97 -40.38 94.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -51.93 -22.21 3.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -97.91 -43.18 7.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.88 -45.91 89.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -66.19 -37.64 86.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -53.49 -24.27 12.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.43 -35.71 19.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.1 mt -59.99 -62.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -49.77 -51.39 39.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -39.66 -38.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mt -86.71 -47.5 9.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.425 ' HE2' ' CG2' ' A' ' 96' ' ' THR . 3.8 mtp -48.52 -47.51 38.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.7 t -73.69 -29.64 62.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -59.02 -54.85 42.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.1 m -119.6 176.85 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 t -91.83 163.45 14.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 29.0 tttt -64.65 -18.56 65.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -89.73 -32.87 16.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.1 -31.41 68.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.52 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 2.8 m0 -67.67 111.77 8.48 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.524 0.678 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.12 66.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 79.6 p -86.37 118.3 25.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.0 m -124.89 169.73 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 69' ' ' SER . 3.9 m-20 -98.34 126.38 43.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.474 ' HE3' ' CD1' ' A' ' 113' ' ' PHE . 54.3 ttm -97.32 98.2 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -82.38 107.96 15.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.416 ' C ' HG23 ' A' ' 15' ' ' VAL . 84.5 t -107.41 98.43 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -75.38 -178.31 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -49.28 -59.01 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.81 40.14 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 61' ' ' ALA . 22.9 m -158.74 149.04 19.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.5 t -130.81 102.44 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.8 m -104.91 149.15 25.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.463 ' CG1' HD11 ' A' ' 77' ' ' LEU . 85.0 t -111.36 113.61 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.7 mt -114.1 150.32 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.492 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 7.9 t -56.37 173.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -76.1 -42.36 47.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -99.16 -52.79 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -63.55 144.34 57.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -104.89 -33.88 8.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -89.08 -12.25 41.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -73.56 92.33 1.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.4 p -91.8 118.55 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.463 HD11 ' CG1' ' A' ' 67' ' ' VAL . 16.2 mt -84.67 -46.85 11.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.415 HG23 ' CE1' ' A' ' 111' ' ' HIS . 96.9 t -144.02 139.15 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -120.2 94.31 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.6 t -104.75 144.49 31.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -122.0 130.93 53.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' LEU . 77.4 t -42.73 -56.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -38.85 -52.88 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -65.82 -33.62 76.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 82' ' ' VAL . 2.3 tt -41.69 120.21 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.4 t -94.04 -50.74 5.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -150.16 128.73 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.428 ' SD ' ' CG2' ' A' ' 126' ' ' VAL . 7.0 ptp -122.85 139.13 54.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.79 -165.5 23.24 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 91' ' ' GLY . 55.1 t -129.01 145.29 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.177 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.44 ' N ' HG11 ' A' ' 90' ' ' VAL . . . -70.52 -165.9 5.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.428 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -46.4 55.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.03 124.01 37.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 18.5 m -52.55 -22.4 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 6.4 m80 -64.82 -33.09 75.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.469 HG22 ' CE3' ' A' ' 114' ' ' TRP . 65.8 p -80.19 150.27 30.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -145.14 115.89 7.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.96 142.25 50.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -135.21 146.33 48.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -96.24 117.98 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.9 ptm -117.99 145.34 44.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.65 113.56 26.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 51.7 p -103.85 -50.23 3.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -120.98 -131.81 4.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 107' ' ' ARG . 32.3 m-20 -59.16 -174.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.451 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 26.1 mt-30 -41.8 -23.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' ASN . 23.7 mtt-85 -67.09 97.76 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.451 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 2.9 m-85 -88.32 151.29 22.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -105.56 133.31 50.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 28.9 t -113.45 110.62 20.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 93.0 m-70 -93.01 135.3 34.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 113' ' ' PHE . 40.7 t -113.18 138.21 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.474 ' CD1' ' HE3' ' A' ' 58' ' ' MET . 31.4 m-85 -144.09 127.74 17.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.469 ' CE3' HG22 ' A' ' 96' ' ' THR . 45.0 t-105 -77.49 130.55 37.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 79.0 m -105.58 144.93 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.477 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 11.7 mp0 -129.88 127.99 22.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.695 0.76 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.58 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 53.7 Cg_endo -69.79 -50.28 0.19 OUTLIER 'Cis proline' 0 C--N 1.342 0.234 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.343 -0.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.64 -176.36 2.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.415 ' C ' HD23 ' A' ' 164' ' ' LEU . . . -104.94 36.47 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.91 -49.42 17.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -63.73 -52.84 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.8 t -53.41 -52.26 33.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -60.39 -41.87 94.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -63.21 -41.67 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.22 -51.13 69.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 127' ' ' GLN . 7.7 p -61.49 -42.07 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.44 ' N ' HG12 ' A' ' 126' ' ' VAL . 32.2 tt0 -55.74 -41.46 73.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.14 71.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -42.81 -45.24 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 131' ' ' SER . 7.6 p -84.14 -48.21 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 130' ' ' CYS . 9.5 t -35.82 -45.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.41 -154.17 52.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 97.21 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 32.7 m -91.99 174.34 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 61.4 m -143.36 106.71 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.83 152.32 20.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 71.2 mt -97.97 126.5 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -105.57 126.16 51.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -127.78 167.62 20.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -71.15 -48.01 54.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 99.32 -98.13 1.92 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.2 t -166.31 160.14 15.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.369 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 81.5 p -126.99 145.56 50.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -172.23 -145.96 5.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 51.8 p -116.06 174.71 5.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.1 m -94.83 145.48 24.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -86.33 -170.86 47.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 18.7 m -137.52 171.81 13.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.5 t -72.99 95.47 2.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -179.03 68.89 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 96.5 p -165.12 154.02 12.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 43.7 t -88.91 85.9 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -153.78 -83.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 43.94 42.31 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -135.99 143.56 44.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -163.01 106.35 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 158' ' ' THR . 7.9 p -78.1 140.57 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.42 ' N ' HG22 ' A' ' 157' ' ' VAL . 9.0 t -73.95 141.57 78.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.563 0.697 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 2.7 3.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.238 . . . . 0.0 112.366 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -85.01 -37.03 20.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.33 -53.06 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -41.89 -50.83 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 166' ' ' LYS . 11.7 t60 -61.42 -58.94 6.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 163' ' ' HIS . 8.0 mt -36.83 -53.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 5.3 m -55.18 -37.91 67.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 163' ' ' HIS . 5.8 mmtp -57.48 -32.58 67.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' MET . . . . . 0.408 ' O ' ' CA ' ' A' ' 171' ' ' GLY . 81.1 mmm -72.05 -57.87 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -63.43 -28.58 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -69.4 -74.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -103.12 -32.03 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 167' ' ' MET . . . 74.58 -172.61 52.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -135.85 125.54 25.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.472 ' CB ' HG12 ' A' ' 32' ' ' VAL . 2.4 pp20? -110.84 109.17 19.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 173' ' ' GLU . 9.5 t-20 -34.47 118.37 0.53 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.647 0.737 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -28.19 25.56 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.429 HG23 ' CG ' ' A' ' 174' ' ' ASN . 10.1 t -63.0 -31.73 72.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -87.33 71.03 10.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -112.06 149.17 32.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 1.3 t80 -129.8 -51.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -173.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -126.64 45.86 2.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -75.6 49.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.18 131.75 10.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -121.54 150.09 42.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.544 HG23 ' CA ' ' A' ' 61' ' ' ALA . 14.4 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.757 0.313 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -102.26 140.05 37.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.76 139.92 44.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -123.66 131.08 53.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -74.72 113.1 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.3 m -149.81 171.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -103.42 168.49 9.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -118.14 107.29 13.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 5.8 mp -76.68 -47.42 22.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.04 -161.69 30.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.522 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 32.8 ttp -132.35 131.23 41.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.868 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -130.95 120.63 18.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.89 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.513 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.4 Cg_endo -69.77 144.52 54.27 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.294 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 m -120.69 155.45 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -88.72 -38.33 14.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 -110.69 144.27 29.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -27.63 26.15 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.299 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 87' ' ' PHE . 32.9 m -128.02 166.08 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.13 106.32 2.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.8 mmt -58.14 -24.84 60.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -74.14 -22.6 59.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 98.8 m -90.61 -46.63 8.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.491 ' C ' HD23 ' A' ' 37' ' ' LEU . 8.0 tt -59.28 -50.0 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.14 -24.99 65.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.481 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 31.2 t -71.89 -18.42 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.868 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -93.15 -26.04 17.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.539 HG23 HG11 ' A' ' 112' ' ' VAL . 22.2 mt -65.0 -60.3 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.528 ' O ' HG23 ' A' ' 46' ' ' THR . 7.8 mm-40 -53.87 -41.09 67.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 39' ' ' SER . 93.0 m-20 -49.89 -46.32 51.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.4 mt -74.7 -42.05 59.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.405 ' HE2' HD21 ' A' ' 23' ' ' LEU . 3.5 mtt -55.54 -38.56 69.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 42' ' ' GLU . 74.2 p -63.94 -49.98 70.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 t -55.69 -68.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 p -101.48 146.63 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.419 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.1 m -87.46 -177.96 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.515 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 37.3 tttm -60.67 -48.27 82.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.34 -19.71 60.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -72.29 -25.53 61.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.515 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 5.6 m0 -78.33 120.43 81.07 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.51 0.672 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 149.16 66.26 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.691 2.261 . . . . 0.0 112.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -81.28 123.43 28.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.612 HG11 ' CD1' ' A' ' 77' ' ' LEU . 11.3 m -135.74 155.66 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -96.13 122.8 39.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 49.2 ttm -89.76 102.77 15.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.59 ' OD1' HD12 ' A' ' 68' ' ' ILE . 11.1 m120 -88.9 113.08 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.796 HG13 HG22 ' A' ' 65' ' ' VAL . 60.5 t -111.94 103.28 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.544 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -80.96 179.82 7.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -40.71 -70.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.56 40.53 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.461 HG23 ' CG ' ' A' ' 81' ' ' ARG . 4.6 m -154.83 151.46 28.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.796 HG22 HG13 ' A' ' 60' ' ' VAL . 71.6 t -134.03 101.08 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.105 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -102.38 139.18 38.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' A' ' 77' ' ' LEU . 95.8 t -103.39 113.29 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.59 HD12 ' OD1' ' A' ' 59' ' ' ASN . 64.4 mt -112.04 143.64 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 t -79.94 169.54 17.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -86.5 -39.53 16.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 ptpt -58.37 -27.42 64.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -150.1 156.43 41.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -95.82 -33.99 12.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 74' ' ' GLU . 1.4 pm0 -77.28 -6.04 51.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 76' ' ' VAL . 4.9 tp10 -78.84 110.98 14.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.498 ' N ' ' OE1' ' A' ' 75' ' ' GLU . 49.1 t -100.62 97.7 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.612 ' CD1' HG11 ' A' ' 56' ' ' VAL . 72.8 mt -66.0 -42.79 89.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 86.5 t -154.73 131.29 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -108.0 98.7 8.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 36.9 t -108.12 146.29 32.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.461 ' CG ' HG23 ' A' ' 64' ' ' THR . 18.9 mtp85 -123.67 131.53 53.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.1 t -49.81 -35.04 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -61.54 -38.48 87.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -79.25 -30.79 43.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.713 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.7 tt -47.54 112.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.2 p -88.35 -45.47 9.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.458 ' HB2' HG12 ' A' ' 32' ' ' VAL . 47.7 t80 -152.04 143.66 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.713 ' HB3' HD21 ' A' ' 85' ' ' LEU . 4.5 ptp -138.93 140.51 38.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.52 176.88 34.56 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 91' ' ' GLY . 25.0 t -114.86 141.13 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 111.109 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.445 ' O ' HG12 ' A' ' 90' ' ' VAL . . . -66.65 167.14 38.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' GLY . 29.3 tptt -37.49 -30.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 91' ' ' GLY . 3.6 m-20 -98.76 150.15 22.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.7 m -86.48 4.66 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.409 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 5.6 m80 -102.61 7.48 39.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.441 ' O ' HG13 ' A' ' 90' ' ' VAL . 33.8 p -125.84 148.06 49.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.496 ' CZ ' HG11 ' A' ' 126' ' ' VAL . 31.8 t80 -140.02 121.45 15.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.544 ' HB2' HG13 ' A' ' 112' ' ' VAL . . . -131.59 136.9 48.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.084 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.463 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 6.6 p90 -134.6 141.94 46.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.4 mt -100.68 119.94 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.2 ptm -112.43 162.67 15.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -92.95 118.8 31.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 77.0 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -179.882 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -119.81 145.14 46.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -107.37 152.21 24.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.1 t -128.83 108.93 10.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 71.5 m-70 -95.12 147.95 22.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.544 HG13 ' HB2' ' A' ' 98' ' ' ALA . 2.3 t -123.01 147.0 27.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -145.22 130.01 18.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 45.9 t-105 -79.84 123.75 28.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 60.7 m -103.25 137.67 41.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 10.8 mm-40 -125.94 129.78 24.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.2 Cg_endo -69.79 -46.14 0.38 Allowed 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.331 0.073 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.66 -175.82 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.57 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -102.9 47.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.598 ' N ' HD21 ' A' ' 164' ' ' LEU . . . -83.53 -47.28 11.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -77.38 -32.16 54.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 50.5 t -71.84 -67.55 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.6 p -52.87 -19.02 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -80.44 -35.24 35.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.4 -49.71 21.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.4 p -59.22 -48.39 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.531 ' HA ' ' HE3' ' A' ' 88' ' ' MET . 6.5 pt20 -62.6 -42.73 99.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . -71.87 -24.68 61.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.14 -32.96 71.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.065 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.863 0.364 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.598 HD21 ' N ' ' A' ' 120' ' ' ALA . 11.9 mt -43.25 -30.32 0.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 36.1 m -70.18 -51.94 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -46.94 -46.33 21.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 63.8 mmm -54.86 -46.31 74.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -80.26 6.37 12.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -105.59 -70.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -107.01 -25.96 11.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 74.12 -169.94 53.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.447 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -130.4 111.07 11.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.971 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -96.1 113.06 24.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 25.1 t30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.749 0.309 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -110.7 131.64 54.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -97.1 144.76 26.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -133.07 125.67 30.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -69.65 118.95 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 115' ' ' CYS . 33.5 m -154.04 -178.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -118.61 164.32 15.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -115.72 108.78 16.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.55 HD23 ' HG2' ' A' ' 45' ' ' MET . 6.3 mp -74.88 -38.81 61.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 145.92 -170.84 27.04 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.412 ' O ' HD21 ' A' ' 44' ' ' LEU . 9.1 tmm? -117.31 141.08 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.756 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.5 OUTLIER -144.91 118.51 5.56 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.587 0.708 . . . . 0.0 110.944 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.39 54.14 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.368 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.7 m -117.81 153.1 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -84.17 -35.21 23.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -112.94 144.79 31.75 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -26.2 27.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.249 . . . . 0.0 112.28 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.875 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.1 m -134.75 173.3 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.11 102.72 2.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.6 mmt -42.44 -54.37 3.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -45.86 -41.54 11.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.1 m -72.21 -41.33 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 98' ' ' ALA . 10.2 tt -62.05 -54.73 37.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -57.85 -32.26 67.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.9 t -58.77 -29.93 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.756 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -81.25 -28.4 34.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.51 HG23 HG11 ' A' ' 112' ' ' VAL . 10.7 mt -68.45 -60.65 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -52.72 -49.15 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -41.64 -39.94 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.412 HD21 ' O ' ' A' ' 25' ' ' MET . 10.5 mt -82.61 -57.47 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.55 ' HG2' HD23 ' A' ' 23' ' ' LEU . 6.0 mtt -41.8 -39.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.5 p -62.9 -52.61 62.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.1 t -62.34 -73.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.8 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.5 m -82.21 156.62 24.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -104.37 174.69 5.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 20.3 tttm -61.2 -20.62 62.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -94.35 -21.23 19.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -75.54 -22.89 56.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 4.1 m0 -77.14 112.71 24.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 53' ' ' TRP . 53.4 Cg_endo -69.79 144.32 53.5 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.3 m -75.87 127.35 32.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.9 m -138.5 166.89 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -105.32 116.9 32.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.496 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 39.7 ttm -82.79 99.82 9.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.528 ' ND2' HD12 ' A' ' 68' ' ' ILE . 7.5 m-80 -81.27 110.03 16.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.568 HG13 HG22 ' A' ' 65' ' ' VAL . 58.9 t -108.47 99.37 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.5 -175.39 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -46.29 -72.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HA ' HG21 ' A' ' 82' ' ' VAL . . . -121.11 32.41 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.54 HG23 ' HG2' ' A' ' 81' ' ' ARG . 5.0 m -151.08 127.2 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.568 HG22 HG13 ' A' ' 60' ' ' VAL . 73.2 t -113.94 107.79 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -109.34 148.83 30.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.429 ' CG1' HD12 ' A' ' 77' ' ' LEU . 17.7 t -111.23 123.32 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.528 HD12 ' ND2' ' A' ' 59' ' ' ASN . 45.3 mt -122.29 149.55 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.7 t -62.61 163.67 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -64.21 -46.66 82.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -89.71 -65.81 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -59.02 133.07 55.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.411 ' O ' HG21 ' A' ' 68' ' ' ILE . 10.7 pt-20 -91.27 -42.32 10.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.62 -29.81 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -51.57 102.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 76' ' ' VAL . 3.0 p -105.66 107.69 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.429 HD12 ' CG1' ' A' ' 67' ' ' VAL . 7.2 mt -79.19 -52.41 8.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.8 t -129.81 146.64 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -134.51 94.86 3.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.424 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 50.2 t -107.27 146.62 31.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.54 ' HG2' HG23 ' A' ' 64' ' ' THR . 54.1 mtt85 -116.83 124.45 49.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' A' ' 130' ' ' CYS . 57.5 t -35.6 -52.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -57.69 -43.18 84.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' ARG . 3.7 m-85 -69.27 -20.52 63.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 88' ' ' MET . 4.6 tt -54.75 110.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 87' ' ' PHE . 13.7 p -73.9 -60.51 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.875 ' HB2' HG12 ' A' ' 32' ' ' VAL . 68.6 t80 -154.09 127.59 8.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.601 ' HB3' HD21 ' A' ' 85' ' ' LEU . 5.4 ptp -110.93 157.25 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.51 172.36 44.88 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 96' ' ' THR . 55.5 t -117.01 138.09 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.404 ' O ' HG12 ' A' ' 90' ' ' VAL . . . -66.56 174.36 23.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -47.8 -21.3 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.99 136.34 48.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.421 ' HB ' HD13 ' A' ' 164' ' ' LEU . 11.1 m -71.92 -11.35 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.415 ' HB3' ' CZ2' ' A' ' 114' ' ' TRP . 18.7 m80 -87.46 17.56 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.512 ' O ' HG13 ' A' ' 90' ' ' VAL . 30.8 p -138.42 147.55 43.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -144.48 117.51 8.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.484 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -127.52 139.0 53.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.424 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 15.8 p90 -132.81 142.72 49.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.7 mt -99.84 114.47 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.438 ' SD ' ' C ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -107.07 167.48 9.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 102' ' ' ASP . 0.3 OUTLIER -106.31 115.87 30.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.7 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -127.69 133.33 49.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.37 148.43 27.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.9 t -125.16 107.24 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -93.58 149.17 21.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.51 HG11 HG23 ' A' ' 41' ' ' ILE . 3.7 t -124.09 143.58 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.496 ' CG ' ' CE ' ' A' ' 58' ' ' MET . 30.5 m-85 -144.11 130.22 19.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.415 ' CZ2' ' HB3' ' A' ' 95' ' ' HIS . 38.3 t-105 -84.49 121.9 28.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.573 ' SG ' HG21 ' A' ' 122' ' ' VAL . 72.6 m -93.98 166.17 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.448 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 45.9 mt-10 -151.77 124.13 3.99 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.625 0.726 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 54.3 Cg_endo -69.68 -47.35 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.747 -1.772 . . . . 0.0 112.362 -0.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.528 ' OD1' HD11 ' A' ' 164' ' ' LEU . 3.4 p30 -124.15 -175.44 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -102.03 51.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.41 ' N ' ' OD1' ' A' ' 118' ' ' ASN . . . -81.7 -51.04 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -79.25 -34.61 42.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.573 HG21 ' SG ' ' A' ' 115' ' ' CYS . 55.2 t -60.84 -57.03 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.2 m -68.1 -29.89 68.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.87 -38.72 83.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.03 -52.88 36.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.2 p -61.32 -46.96 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.515 ' N ' HG13 ' A' ' 126' ' ' VAL . 38.0 tt0 -55.03 -51.57 65.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.19 -28.05 63.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.09 -34.66 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.503 ' HA ' HG11 ' A' ' 82' ' ' VAL . 96.8 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 13.6 t60 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.801 0.334 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.528 HD11 ' OD1' ' A' ' 118' ' ' ASN . 48.9 mt -47.81 -52.82 17.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 67.8 m -48.55 -47.74 39.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt -55.3 -30.68 60.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 45.3 mmm -73.63 -43.15 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -82.14 -2.33 51.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -95.25 -71.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -112.06 -33.8 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 85.07 -172.43 47.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' TYR . . . . . 0.484 ' CD2' ' HG3' ' A' ' 127' ' ' GLN . 10.0 t80 -118.43 117.7 29.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.346 . . . . 0.0 110.902 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -99.3 113.71 26.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.682 0.753 . . . . 0.0 110.889 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.74 HG22 ' HB2' ' A' ' 61' ' ' ALA . 47.3 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.812 0.339 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' N ' ' CG1' ' A' ' 15' ' ' VAL . 32.2 mt-30 -102.94 113.45 26.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -94.51 119.06 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -108.13 124.46 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.46 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 8.7 tpp85 -65.58 123.07 18.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 19' ' ' ARG . 18.1 m -159.45 163.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -104.1 151.25 23.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -103.38 108.91 20.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.518 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 5.5 mp -73.35 -42.89 61.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.89 -172.68 30.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.496 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 25.9 ttp -116.75 138.33 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.535 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.7 OUTLIER -142.91 117.79 6.43 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.535 ' N ' HD13 ' A' ' 26' ' ' LEU . 53.7 Cg_endo -69.79 152.1 69.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.266 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.5 m -123.21 175.36 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -108.73 -31.04 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -113.31 145.67 33.71 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.506 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.3 Cg_endo -69.78 -29.94 22.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.845 HG12 ' HB2' ' A' ' 87' ' ' PHE . 20.4 m -138.47 153.48 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.3 108.99 0.99 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.8 mmt -53.11 -48.02 68.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -49.69 -26.02 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 87.3 m -94.51 -44.41 7.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.457 ' C ' HD23 ' A' ' 37' ' ' LEU . 9.2 tt -55.45 -47.43 76.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -70.23 -41.73 73.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.6 t -52.33 -19.6 2.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -89.92 -27.82 19.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.468 ' CD1' ' HA3' ' A' ' 91' ' ' GLY . 51.2 mt -65.75 -55.57 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -55.1 -51.43 66.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -39.1 -48.22 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 mt -74.52 -54.98 6.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.448 ' HG2' HD23 ' A' ' 23' ' ' LEU . 6.0 mtt -42.28 -42.05 2.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.4 p -63.54 -47.69 80.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.165 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.4 t -63.61 -69.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.3 m -90.15 145.65 24.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 m -96.43 164.09 12.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.811 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.469 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.0 tptp -43.89 -50.3 8.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.36 -28.23 66.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.7 -26.42 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.518 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 2.0 m0 -79.78 117.23 66.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.55 0.691 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 155.88 64.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.737 2.292 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 p -89.59 114.8 26.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.4 m -121.36 179.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -120.31 130.98 54.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.5 ttm -86.98 98.13 11.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.77 ' ND2' HD12 ' A' ' 68' ' ' ILE . 8.3 m120 -81.64 94.95 7.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 65' ' ' VAL . 66.2 t -96.32 101.01 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.74 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -101.93 174.28 6.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.074 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -41.23 99.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 54.96 46.14 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.9 m -158.79 143.64 16.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 60' ' ' VAL . 75.5 t -136.58 105.32 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.0 m -111.35 148.28 33.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.714 HG12 HD12 ' A' ' 77' ' ' LEU . 40.2 t -107.86 125.18 64.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.77 HD12 ' ND2' ' A' ' 59' ' ' ASN . 32.1 mt -122.44 143.33 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -71.54 119.44 15.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -43.26 -26.36 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -77.94 -66.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 73' ' ' GLU . 64.4 t-20 -101.7 144.8 29.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.555 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.3 mp0 -82.0 -60.48 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -54.03 -19.52 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -67.7 88.57 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 76' ' ' VAL . 10.5 p -91.02 105.23 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.714 HD12 HG12 ' A' ' 67' ' ' VAL . 17.6 mt -70.93 -61.3 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.5 t -127.63 152.4 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -132.86 95.65 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.8 t -107.43 147.93 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 82' ' ' VAL . 23.6 mtt-85 -127.58 119.4 25.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 81' ' ' ARG . 44.6 t -34.66 -61.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -39.14 -43.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 85' ' ' LEU . 38.8 m-85 -72.92 -40.48 65.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.2 tt -35.58 122.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 81.3 p -92.13 -42.52 9.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.845 ' HB2' HG12 ' A' ' 32' ' ' VAL . 71.1 t80 -160.2 134.98 7.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.621 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.8 ptp -128.28 144.28 51.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -158.08 -167.88 19.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.594 HG11 ' HA ' ' A' ' 94' ' ' VAL . 62.2 t -126.93 129.16 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.381 . . . . 0.0 111.111 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.468 ' HA3' ' CD1' ' A' ' 41' ' ' ILE . . . -54.84 -171.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -54.65 -29.14 51.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.18 133.48 52.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.787 ' HB ' HD13 ' A' ' 164' ' ' LEU . 3.7 m -60.33 -23.24 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -68.19 -20.45 64.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.576 ' O ' HG13 ' A' ' 90' ' ' VAL . 69.6 p -96.01 150.82 20.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -147.86 113.33 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.433 ' HB2' HG13 ' A' ' 112' ' ' VAL . . . -121.99 152.95 39.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -144.62 137.76 26.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.5 mt -99.62 116.81 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.5 ptm -109.4 162.8 14.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -114.78 108.75 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.179 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 107' ' ' ARG . 6.0 ptm180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.861 0.363 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.506 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 5.5 m-85 -110.99 148.69 31.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -106.64 126.53 52.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.4 t -104.2 104.61 14.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.496 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 86.3 m-70 -96.85 130.68 44.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.433 HG13 ' HB2' ' A' ' 98' ' ' ALA . 2.8 t -110.5 144.56 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.489 ' CZ ' HG21 ' A' ' 67' ' ' VAL . 77.9 m-85 -143.1 124.89 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -73.31 117.63 15.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 74.4 m -91.6 161.17 15.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 14.5 mt-10 -147.15 127.95 7.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.714 . . . . 0.0 110.909 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.3 Cg_endo -69.75 -46.45 0.36 Allowed 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.362 -0.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -120.33 -175.71 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.686 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -100.7 40.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.99 -52.29 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -67.28 -53.72 27.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 80.6 t -53.42 -57.53 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.3 p -56.88 -39.11 73.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -62.97 -42.34 99.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.95 88.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.3 p -70.91 -41.22 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.419 ' N ' HG13 ' A' ' 126' ' ' VAL . 40.2 tt0 -59.07 -50.47 73.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.54 90.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.97 -47.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 71.7 m . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.787 HD13 ' HB ' ' A' ' 94' ' ' VAL . 19.5 mt -46.41 -43.87 16.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 4.3 m -53.89 -55.34 27.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -43.16 -44.02 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 9.7 mtp -61.36 -40.8 95.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.12 -23.03 57.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -77.84 -73.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -102.31 -35.2 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 87.88 -160.42 31.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -132.71 122.89 25.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -105.38 107.23 18.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.481 HG23 ' CA ' ' A' ' 61' ' ' ALA . 9.9 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.742 0.306 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -124.9 145.27 49.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -107.39 158.73 16.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -137.74 125.84 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -66.81 110.24 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -149.02 -175.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -123.73 165.89 16.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -117.34 115.29 24.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.476 ' H ' HD12 ' A' ' 23' ' ' LEU . 4.8 mp -80.23 -43.92 20.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.566 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 152.34 178.42 27.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 26' ' ' LEU . 11.6 tmm? -106.05 138.99 41.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.709 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -140.64 117.34 7.8 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.608 0.718 . . . . 0.0 110.952 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.478 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.5 Cg_endo -69.76 148.96 66.23 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.74 139.22 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -89.27 -1.51 58.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 mmt-85 -126.46 132.83 24.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.726 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -28.92 24.46 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.631 2.221 . . . . 0.0 112.327 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.716 HG12 ' HB2' ' A' ' 87' ' ' PHE . 15.7 m -135.33 -175.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.02 113.79 3.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.6 mmt -61.02 -30.77 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.44 -17.24 63.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.7 m -98.23 -45.3 6.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tt -59.15 -50.73 72.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -64.45 -32.14 73.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.2 t -63.88 -20.42 65.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.709 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -88.59 -19.14 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.7 mt -75.09 -61.89 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 46' ' ' THR . 3.4 mp0 -53.12 -35.51 59.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -55.56 -39.07 70.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.566 HD22 ' HA3' ' A' ' 24' ' ' GLY . 48.8 mt -81.95 -44.63 16.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 mtt -55.6 -46.26 77.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 42' ' ' GLU . 71.9 p -60.52 -35.14 75.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 t -73.88 -66.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.0 m -103.68 154.66 19.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.7 m -95.39 175.37 6.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 13.3 tptm -57.92 -51.05 71.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -67.45 -19.72 65.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.69 -23.44 56.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 12.0 m0 -76.87 120.53 82.06 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.582 0.705 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 131.14 20.68 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.756 2.304 . . . . 0.0 112.31 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.2 m -68.86 122.99 19.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.0 m -132.16 -175.38 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -124.32 124.03 41.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 29.7 ttm -87.24 107.13 18.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.446 ' ND2' HD12 ' A' ' 68' ' ' ILE . 9.2 m120 -91.08 116.3 28.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.692 HG13 HG22 ' A' ' 65' ' ' VAL . 98.3 t -117.85 101.88 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.481 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -81.67 -176.07 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -45.91 -70.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.522 ' O ' HG22 ' A' ' 82' ' ' VAL . . . -118.64 43.13 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 61' ' ' ALA . 4.7 m -160.66 149.24 16.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.123 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.692 HG22 HG13 ' A' ' 60' ' ' VAL . 49.6 t -133.44 100.11 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.0 m -102.54 149.05 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.857 HG12 HD12 ' A' ' 77' ' ' LEU . 53.3 t -113.32 117.75 56.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.446 HD12 ' ND2' ' A' ' 59' ' ' ASN . 40.4 mt -112.13 149.12 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 75' ' ' GLU . 5.2 t -91.06 148.8 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.73 -21.71 65.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -67.27 -61.01 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -127.05 134.86 50.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.42 -25.81 67.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.25 1.96 53.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.472 ' CD ' ' CB ' ' A' ' 69' ' ' SER . 56.7 tt0 -83.63 82.53 8.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.711 ' O ' HG13 ' A' ' 76' ' ' VAL . 10.2 p -79.81 87.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.857 HD12 HG12 ' A' ' 67' ' ' VAL . 12.9 mt -52.79 -57.97 8.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 79' ' ' GLU . 79.3 t -137.63 154.9 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.452 ' N ' HG12 ' A' ' 78' ' ' VAL . 42.2 tt0 -128.42 96.16 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.1 t -99.77 147.21 25.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -132.62 132.09 42.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 63' ' ' ALA . 3.7 m -53.95 -40.15 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -73.51 2.28 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -123.39 -13.58 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.49 128.7 37.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 t -93.22 -50.68 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.716 ' HB2' HG12 ' A' ' 32' ' ' VAL . 89.1 t80 -152.19 144.6 24.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.6 ptp -137.8 157.05 47.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.59 173.78 46.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 96' ' ' THR . 56.3 t -107.53 144.5 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.887 0.375 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.53 -160.82 1.41 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -62.81 -39.92 95.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.772 0.32 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -98.87 138.1 36.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.4 m -64.73 -8.39 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -82.32 -19.38 39.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.712 ' O ' HG13 ' A' ' 90' ' ' VAL . 59.1 p -98.89 149.09 23.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -149.31 118.76 6.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.687 ' CB ' HG22 ' A' ' 112' ' ' VAL . . . -130.29 144.56 51.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -131.48 155.57 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.1 mt -111.7 115.25 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.411 ' SD ' ' C ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -110.36 165.6 11.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.516 ' OD2' ' CE1' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -109.74 117.26 33.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.836 0.351 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.516 ' CE1' ' OD2' ' A' ' 102' ' ' ASP . 9.4 m-85 -111.24 149.28 31.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -114.31 138.98 49.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.3 t -106.64 100.87 10.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -95.56 136.44 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.687 HG22 ' CB ' ' A' ' 98' ' ' ALA . 12.0 t -123.48 150.31 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -148.6 133.02 17.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.553 ' CE3' HG22 ' A' ' 96' ' ' THR . 35.5 t-105 -82.57 111.18 18.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 87.9 m -83.34 158.4 22.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.504 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 15.6 mt-10 -148.46 127.96 6.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.646 0.736 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.6 Cg_endo -69.8 -49.99 0.21 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.376 0.025 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.99 -175.76 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -105.97 47.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.462 ' O ' ' CB ' ' A' ' 124' ' ' GLU . . . -85.91 -46.3 10.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -75.94 -40.85 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.97 -66.2 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.6 m -58.74 -11.88 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 120' ' ' ALA . 17.1 tt0 -88.09 -35.76 17.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.73 -35.56 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.605 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.1 p -70.41 -52.22 31.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.605 ' N ' HG13 ' A' ' 126' ' ' VAL . 5.6 pt20 -50.14 -45.17 52.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.452 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . -72.17 -33.15 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.65 -20.77 61.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 85.2 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 49.2 t60 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 73.7 mt -71.41 -28.54 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 35.3 m -76.24 -58.34 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' LYS . . . . . 0.537 ' CG ' ' N ' ' A' ' 167' ' ' MET . 5.9 ptmt -39.68 -49.84 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.537 ' N ' ' CG ' ' A' ' 166' ' ' LYS . 0.0 OUTLIER -50.39 -43.54 54.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -82.44 -15.52 52.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -80.18 -72.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -119.83 -31.23 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 99.65 -145.32 17.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -150.68 109.33 3.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.37 . . . . 0.0 110.944 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -90.21 105.48 17.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 12.6 t-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.478 HG23 ' C ' ' A' ' 60' ' ' VAL . 7.2 p . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.835 0.35 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -104.93 117.34 33.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.4 146.96 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -134.33 134.53 41.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -78.19 111.08 13.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 115' ' ' CYS . 33.0 m -142.73 179.82 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -118.23 166.54 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -116.12 107.75 15.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.83 HD13 HG12 ' A' ' 112' ' ' VAL . 5.5 mp -73.63 -42.37 61.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.48 179.68 25.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.4 ' SD ' ' NE2' ' A' ' 111' ' ' HIS . 2.9 tpt -105.62 133.83 49.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.478 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -147.9 116.17 4.12 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.626 0.727 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.441 ' N ' HD13 ' A' ' 26' ' ' LEU . 53.9 Cg_endo -69.77 159.46 53.31 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.373 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.5 m -126.25 158.72 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -84.62 -38.05 20.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -115.45 143.01 29.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -17.29 37.69 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' A' ' 87' ' ' PHE . 27.8 m -139.47 162.5 26.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.68 102.75 2.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.4 mmt -48.27 -44.56 33.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -49.99 -37.91 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.1 m -82.87 -42.45 17.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.17 -44.04 78.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.1 m-80 -70.01 -48.78 56.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -41.04 -27.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.478 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -83.15 -42.32 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.431 HG23 HG11 ' A' ' 112' ' ' VAL . 71.3 mt -53.66 -54.85 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -55.92 -50.92 69.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -37.54 -55.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' SER . 13.5 mt -70.94 -51.41 26.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' LEU . 7.9 mmt -36.62 -55.88 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.6 p -59.71 -35.96 75.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' LEU . 7.7 t -62.78 -65.44 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 m -106.38 143.2 34.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.1 m -79.97 161.72 25.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -47.77 -42.02 24.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.66 -35.94 62.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -54.27 -37.2 64.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.475 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 4.6 m0 -61.63 119.43 47.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 132.54 23.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.9 m -66.06 120.38 13.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.1 m -127.0 166.08 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -110.01 121.8 46.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.448 ' HE1' ' CD2' ' A' ' 113' ' ' PHE . 41.4 ttm -89.23 102.97 15.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -90.91 110.18 21.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.478 ' C ' HG23 ' A' ' 15' ' ' VAL . 92.5 t -104.14 101.33 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -95.4 175.95 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -47.0 102.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 56.17 43.52 26.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' ALA . 37.6 m -161.52 138.31 8.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.406 HG22 HG22 ' A' ' 60' ' ' VAL . 92.7 t -128.59 96.51 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -96.79 135.62 38.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.0 t -97.59 110.77 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.4 mt -109.5 147.5 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -83.11 160.62 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -39.84 65.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -54.15 -62.19 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -114.45 171.32 7.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -97.89 -44.84 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.52 -37.17 86.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.658 ' OE2' HD23 ' A' ' 77' ' ' LEU . 20.7 tp10 -43.14 100.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 76' ' ' VAL . 5.7 p -106.85 88.13 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.092 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.658 HD23 ' OE2' ' A' ' 75' ' ' GLU . 19.9 mt -55.02 -52.16 64.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.548 HG11 ' CE1' ' A' ' 111' ' ' HIS . 59.2 t -138.99 140.34 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -119.19 96.99 5.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.467 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 46.8 t -103.57 148.23 26.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 82' ' ' VAL . 19.6 ttt180 -127.38 121.28 30.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' ARG . 95.5 t -33.6 -61.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -41.82 -46.65 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' ARG . 11.5 m-85 -66.33 -43.09 87.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.449 HD13 ' HE1' ' A' ' 88' ' ' MET . 3.0 tt -40.97 112.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.2 p -78.23 -39.84 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.557 ' HB2' HG12 ' A' ' 32' ' ' VAL . 49.8 t80 -165.95 131.26 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.453 ' HE1' HG22 ' A' ' 126' ' ' VAL . 21.7 ptp -114.93 154.15 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.25 165.45 38.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.751 HG11 ' HA ' ' A' ' 94' ' ' VAL . 84.1 t -108.89 146.41 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.47 -174.48 38.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -42.9 -47.49 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -94.34 117.02 29.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.751 ' HA ' HG11 ' A' ' 90' ' ' VAL . 3.9 m -46.81 -40.85 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.416 ' N ' ' CG2' ' A' ' 94' ' ' VAL . 16.7 m80 -43.01 -37.84 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.591 ' O ' HG13 ' A' ' 90' ' ' VAL . 27.5 p -75.41 159.45 31.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -158.35 114.75 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.486 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -130.04 153.32 48.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.062 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.467 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 42.6 p90 -138.05 140.73 40.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.3 mt -96.16 111.26 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.674 ' SD ' HG23 ' A' ' 103' ' ' THR . 0.6 OUTLIER -111.74 167.36 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -119.85 105.14 10.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.948 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.674 HG23 ' SD ' ' A' ' 101' ' ' MET . 17.2 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.79 0.328 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -109.02 141.53 41.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -109.7 145.57 36.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.8 t -120.38 112.57 19.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.548 ' CE1' HG11 ' A' ' 78' ' ' VAL . 69.5 m80 -95.57 128.14 42.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.83 HG12 HD13 ' A' ' 23' ' ' LEU . 27.6 t -108.48 136.46 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.466 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 55.7 m-85 -142.29 125.11 16.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -76.21 127.47 32.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.516 ' HA ' HG12 ' A' ' 20' ' ' VAL . 68.0 m -104.98 143.75 32.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 13.2 mp0 -129.48 131.37 23.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.681 0.753 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.6 Cg_endo -69.76 -47.87 0.29 Allowed 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.325 -0.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.24 -178.95 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.736 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -96.17 44.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 124' ' ' GLU . . . -81.56 -49.94 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -72.94 -56.35 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.7 t -49.01 -56.94 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 t -62.92 -38.6 91.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 120' ' ' ALA . 21.5 tt0 -63.57 -32.07 73.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.3 -58.0 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.1 p -56.33 -44.01 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.468 ' N ' HG13 ' A' ' 126' ' ' VAL . 43.7 tt0 -60.89 -45.77 93.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.76 -48.81 73.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.29 -42.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 91.3 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.917 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 3.7 t60 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.837 0.351 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.736 HD21 ' C ' ' A' ' 119' ' ' ALA . 10.5 mt -40.86 -39.41 1.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 6.1 m -65.66 -47.78 74.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -59.05 -27.85 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 96.9 mmm -72.09 -53.35 13.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.464 ' OE1' HG12 ' A' ' 94' ' ' VAL . 8.6 pt20 -70.97 -23.79 62.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -72.8 -66.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -113.77 -30.93 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 79.72 -159.1 43.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' TYR . . . . . 0.537 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 69.4 t80 -136.55 144.64 44.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -118.03 122.63 43.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 24.6 t30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.653 0.74 . . . . 0.0 110.853 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.421 HG23 ' C ' ' A' ' 60' ' ' VAL . 7.3 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.749 0.309 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -116.97 121.68 42.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.439 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -90.92 143.92 26.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -135.38 129.96 34.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -74.07 120.82 20.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 115' ' ' CYS . 27.2 m -152.36 -178.6 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -121.04 155.23 34.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -106.7 118.17 35.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.526 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 6.3 mp -82.76 -43.23 17.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.19 -176.13 30.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.7 ttp -111.41 134.74 52.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.704 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -140.13 116.83 8.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.649 0.737 . . . . 0.0 110.92 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 151.08 69.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.5 m -121.82 168.27 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.82 -39.91 8.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -110.13 144.03 29.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.657 0.742 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.514 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.79 -25.22 28.7 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.651 HG12 ' HB2' ' A' ' 87' ' ' PHE . 34.4 m -135.34 150.92 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.77 98.03 0.78 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.6 mmt -44.27 -45.58 8.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.89 -42.66 48.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.1 m -73.11 -42.0 63.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.183 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.906 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.5 tt -59.33 -45.94 89.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -63.11 -39.7 95.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 t -57.77 -17.34 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.704 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -92.23 -33.53 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.06 -55.41 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 44' ' ' LEU . 38.4 mt-10 -57.9 -57.25 13.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLU . 39.0 m-20 -36.23 -29.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 42' ' ' GLU . 50.3 mt -90.26 -40.51 12.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.531 ' HE2' ' CH2' ' A' ' 53' ' ' TRP . 4.0 mtt -63.88 -43.98 94.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 t -61.09 -27.28 68.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.9 p -86.3 -63.22 1.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.9 m -97.37 147.61 24.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.51 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 3.0 m -92.03 170.02 10.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 30.7 tttt -55.03 -41.9 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -71.94 -31.93 66.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.25 -28.03 68.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.531 ' CH2' ' HE2' ' A' ' 45' ' ' MET . 2.0 m0 -76.39 114.18 35.75 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.544 0.688 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.95 20.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 m -95.25 125.0 39.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.0 m -133.67 156.96 42.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -98.55 120.01 38.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.534 ' HG2' HG23 ' A' ' 60' ' ' VAL . 48.6 ttm -87.61 105.58 17.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -89.94 97.5 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.534 HG23 ' HG2' ' A' ' 58' ' ' MET . 92.7 t -97.0 99.1 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.15 -179.78 6.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -49.3 -63.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -123.56 36.36 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 m -154.36 151.14 28.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 83.4 t -134.44 98.81 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -102.97 147.72 26.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.7 t -112.33 117.13 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.61 HG21 ' HA ' ' A' ' 73' ' ' GLU . 93.6 mt -111.77 127.94 68.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -66.85 126.5 29.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -43.8 -28.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -55.51 -62.62 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -131.33 163.16 28.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.61 ' HA ' HG21 ' A' ' 68' ' ' ILE . 30.0 tt0 -85.01 -27.09 26.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.84 -4.29 58.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -87.43 96.73 10.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 81.7 t -95.99 95.9 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.54 -39.93 92.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 111' ' ' HIS . 99.4 t -150.54 144.9 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -124.54 100.64 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.8 t -107.01 148.11 29.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' PHE . 17.5 mtp85 -128.64 120.99 27.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.624 HG13 ' SG ' ' A' ' 130' ' ' CYS . 98.9 t -38.15 -38.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -63.9 -43.53 95.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 81' ' ' ARG . 34.5 m-85 -72.67 -37.23 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.445 ' O ' ' CG ' ' A' ' 174' ' ' ASN . 1.3 tt -42.58 137.94 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.7 p -105.22 -44.5 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.651 ' HB2' HG12 ' A' ' 32' ' ' VAL . 40.6 t80 -160.18 145.1 14.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.5 ptp -135.83 146.87 47.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -163.14 -178.0 36.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.485 HG11 ' HA ' ' A' ' 94' ' ' VAL . 76.4 t -119.9 140.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.48 -179.63 41.86 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -41.62 -46.12 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.747 0.308 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -92.17 123.47 35.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.485 ' HA ' HG11 ' A' ' 90' ' ' VAL . 13.2 m -60.81 -19.66 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -66.66 -19.52 65.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.566 HG22 ' CE3' ' A' ' 114' ' ' TRP . 30.1 p -99.09 160.82 13.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -154.13 116.06 4.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.906 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -122.83 157.22 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.551 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 5.1 p90 -153.19 138.54 17.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.3 mt -96.76 118.56 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.5 ptm -108.3 159.38 16.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -99.42 117.63 34.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.0 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.924 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 107' ' ' ARG . 6.0 ptm180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.86 0.362 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.514 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 6.4 m-85 -120.14 142.38 48.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -109.86 131.91 54.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 32.7 t -107.62 111.07 23.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.594 ' CE1' HG11 ' A' ' 78' ' ' VAL . 45.8 m80 -91.8 134.27 34.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.825 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.403 HG21 HD12 ' A' ' 44' ' ' LEU . 7.8 t -111.59 134.92 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.518 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 41.3 m-85 -137.11 133.93 35.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.566 ' CE3' HG22 ' A' ' 96' ' ' THR . 52.7 t-105 -85.94 120.42 27.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.464 ' HA ' HG12 ' A' ' 20' ' ' VAL . 66.2 m -101.9 155.21 18.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.51 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.1 mm-40 -140.99 131.68 13.42 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.672 0.749 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.4 Cg_endo -69.76 -45.94 0.39 Allowed 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.361 -0.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.34 178.08 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.51 46.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.27 -64.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -58.84 -50.55 73.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.2 t -54.29 -55.64 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.3 p -60.45 -40.13 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -61.59 -41.47 97.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.0 -54.08 39.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 127' ' ' GLN . 6.3 p -60.54 -47.32 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.497 ' N ' HG13 ' A' ' 126' ' ' VAL . 22.9 tt0 -51.38 -59.84 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.09 -41.51 75.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.508 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -38.85 -38.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.624 ' SG ' HG13 ' A' ' 82' ' ' VAL . 69.0 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.849 0.357 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.34 -38.09 79.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 89.3 p -64.37 -58.42 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -38.82 -40.25 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.9 mtp -67.96 -49.95 58.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.25 -16.83 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -83.0 -73.32 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -105.3 -48.05 3.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 90.8 176.12 44.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.541 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -104.13 122.61 45.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -100.64 94.46 6.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.451 ' C ' ' ND2' ' A' ' 174' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.631 0.729 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG23 ' HB2' ' A' ' 61' ' ' ALA . 7.8 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.754 0.312 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -109.04 135.34 50.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.78 146.07 41.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -132.85 142.94 49.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.418 ' C ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -78.84 122.25 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.418 HG13 ' C ' ' A' ' 19' ' ' ARG . 5.7 m -157.25 178.52 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -119.66 162.67 18.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -114.62 115.36 27.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.4 mp -85.61 -32.11 22.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.63 -168.59 25.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -122.33 137.47 54.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.758 0.313 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.772 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -138.28 116.66 9.48 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.579 0.704 . . . . 0.0 110.934 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 150.28 67.83 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.632 2.221 . . . . 0.0 112.296 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.4 m -123.37 159.06 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -91.38 -37.92 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -110.88 144.06 29.55 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.738 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.516 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.74 -30.6 22.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.2 m -122.01 -177.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.9 106.24 2.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.425 ' CE ' ' HA3' ' A' ' 89' ' ' GLY . 4.6 mmt -57.16 -29.1 63.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.308 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.14 -23.66 64.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.1 m -88.3 -49.65 6.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.153 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' C ' HD23 ' A' ' 37' ' ' LEU . 10.5 tt -58.63 -52.23 66.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -58.88 -26.54 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 t -69.56 -27.47 65.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.772 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -80.16 -26.12 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.42 HG23 HG11 ' A' ' 112' ' ' VAL . 59.4 mt -66.63 -57.25 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.497 ' O ' HG22 ' A' ' 46' ' ' THR . 14.1 mt-10 -57.68 -54.12 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' GLU . 61.1 m-20 -36.35 -34.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.629 HD12 HG21 ' A' ' 112' ' ' VAL . 32.3 mt -87.14 -53.41 4.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.469 ' HG2' HD23 ' A' ' 23' ' ' LEU . 6.1 mtt -47.81 -45.26 29.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.7 t -63.98 -26.8 68.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.7 t -81.67 -63.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' MET . 4.6 m -97.83 157.6 15.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.54 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.5 m -97.2 173.2 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 23.6 tttm -62.32 -48.66 78.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.65 -21.79 61.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -73.59 -21.68 60.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 18.9 m0 -73.71 118.37 68.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.696 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 135.32 30.2 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.1 p -64.39 127.68 32.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.6 m -138.46 150.09 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.85 119.62 36.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.3 tpp -82.9 114.03 20.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.468 ' ND2' HD12 ' A' ' 68' ' ' ILE . 8.8 m120 -100.6 123.84 45.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.664 HG13 HG22 ' A' ' 65' ' ' VAL . 49.1 t -122.59 98.99 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.514 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -95.69 -178.39 4.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -49.99 110.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 48.16 39.98 12.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 61' ' ' ALA . 33.6 m -157.99 139.47 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.664 HG22 HG13 ' A' ' 60' ' ' VAL . 99.0 t -131.15 102.25 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -103.27 141.16 36.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.435 HG12 HD12 ' A' ' 77' ' ' LEU . 45.6 t -103.1 110.49 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.684 HG23 ' O ' ' A' ' 73' ' ' GLU . 83.6 mt -106.15 142.54 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 75' ' ' GLU . 13.2 t -73.91 157.11 36.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -80.06 -38.87 30.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -69.42 -40.41 77.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.424 ' HB3' ' CB ' ' A' ' 75' ' ' GLU . 50.8 t-20 -124.44 145.09 49.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.684 ' O ' HG23 ' A' ' 68' ' ' ILE . 32.4 mt-10 -83.08 -68.47 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.67 -24.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.424 ' CB ' ' HB3' ' A' ' 72' ' ' ASN . 61.1 tt0 -57.59 97.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.518 ' O ' HG22 ' A' ' 76' ' ' VAL . 1.8 p -95.52 86.82 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.435 HD12 HG12 ' A' ' 67' ' ' VAL . 39.0 mt -50.07 -54.08 22.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 79' ' ' GLU . 78.2 t -140.12 157.17 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.482 ' N ' HG12 ' A' ' 78' ' ' VAL . 41.6 tt0 -133.65 99.77 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.463 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 43.0 t -109.99 148.04 32.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' VAL . 16.2 mtp85 -125.01 121.41 34.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' ARG . 96.6 t -36.14 -57.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -47.89 -46.1 31.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -65.62 -35.29 80.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 87' ' ' PHE . 2.5 tt -45.74 129.7 9.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.7 p -98.71 -40.01 8.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.443 ' N ' HD23 ' A' ' 85' ' ' LEU . 53.6 t80 -160.22 134.02 7.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.43 ' HB3' HD21 ' A' ' 85' ' ' LEU . 9.9 ptp -126.96 138.82 53.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.425 ' HA3' ' CE ' ' A' ' 34' ' ' MET . . . -150.32 -173.5 20.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 96' ' ' THR . 46.1 t -127.9 128.41 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 111.155 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.96 175.78 0.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -53.55 -17.53 2.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -110.25 131.3 55.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.761 ' HB ' HD22 ' A' ' 164' ' ' LEU . 12.6 m -64.07 -14.59 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -83.31 -5.94 59.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.586 ' O ' HG13 ' A' ' 90' ' ' VAL . 76.7 p -109.75 148.82 30.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -153.79 112.99 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -120.56 161.36 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.463 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 8.7 p90 -149.0 140.92 23.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mt -102.33 114.66 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.0 ptm -105.74 160.57 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.51 116.01 28.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.7 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.868 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 5.4 m-85 -124.73 142.55 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -108.5 152.85 24.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 15.2 t -128.74 120.9 27.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 96.6 m-70 -102.62 135.84 43.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.629 HG21 HD12 ' A' ' 44' ' ' LEU . 6.2 t -111.73 137.05 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 21.8 m-85 -140.15 128.74 22.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 38.4 t-105 -84.5 114.22 21.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.61 ' SG ' HG21 ' A' ' 122' ' ' VAL . 97.5 m -86.66 165.49 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.478 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 22.1 mt-10 -150.79 126.72 5.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.634 0.731 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.4 Cg_endo -69.79 -48.88 0.25 Allowed 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.38 -0.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -119.53 -176.91 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -100.12 43.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.497 ' HB2' HD11 ' A' ' 164' ' ' LEU . . . -79.43 -61.88 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -62.71 -44.22 96.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.61 HG21 ' SG ' ' A' ' 115' ' ' CYS . 83.6 t -57.8 -48.4 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.0 t -75.79 -12.08 60.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.48 -38.42 20.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.8 -41.67 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 127' ' ' GLN . 12.4 p -71.11 -41.82 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.461 ' N ' HG13 ' A' ' 126' ' ' VAL . 33.5 tp60 -58.3 -57.57 12.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.3 -32.42 73.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -51.75 -43.11 62.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 93.6 m . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 14.8 t60 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.805 0.336 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.761 HD22 ' HB ' ' A' ' 94' ' ' VAL . 4.2 mp -40.75 -43.86 2.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 2.3 m -48.38 -42.51 31.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -65.83 -38.44 88.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 41.1 mmm -62.68 -35.6 80.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -87.24 -16.28 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -76.94 -72.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -110.15 -30.61 7.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 86.88 -169.44 40.5 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -131.96 123.9 28.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.883 0.373 . . . . 0.0 110.901 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -106.8 105.51 15.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 28.7 t30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.655 0.741 . . . . 0.0 110.864 -179.881 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.521 HG23 ' CA ' ' A' ' 61' ' ' ALA . 12.9 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.806 0.336 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -102.86 134.12 46.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.432 ' CD ' ' H ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -103.9 142.1 34.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -122.31 155.48 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -92.57 111.21 22.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 115' ' ' CYS . 21.8 m -147.63 178.12 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -119.11 155.43 31.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -105.51 116.85 32.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.49 HD23 ' HG2' ' A' ' 45' ' ' MET . 6.0 mp -85.07 -36.13 21.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.54 -169.38 25.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.8 ttp -120.38 138.85 53.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.531 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -140.3 118.04 8.24 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.597 0.713 . . . . 0.0 110.936 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.471 ' N ' HD13 ' A' ' 26' ' ' LEU . 54.5 Cg_endo -69.71 148.74 66.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.262 . . . . 0.0 112.383 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.5 m -121.16 -177.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.64 -43.71 3.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -99.03 141.55 23.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -17.07 37.83 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.429 HG12 ' HB2' ' A' ' 87' ' ' PHE . 16.4 m -143.51 176.3 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.98 106.93 3.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.82 -34.04 51.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -63.61 -32.41 73.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.8 m -79.66 -45.56 18.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.6 tt -61.04 -47.65 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -61.16 -34.6 75.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.411 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 5.0 t -63.26 -17.23 62.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -91.73 -24.49 19.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.63 HG23 HG11 ' A' ' 112' ' ' VAL . 19.8 mt -71.32 -57.56 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -56.54 -46.13 80.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 39' ' ' SER . 62.5 m-20 -41.04 -45.4 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 47' ' ' SER . 10.8 mt -80.28 -57.57 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.49 ' HG2' HD23 ' A' ' 23' ' ' LEU . 4.8 mtt -39.87 -31.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.5 p -77.09 -43.01 35.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' LEU . 72.8 m -61.98 -57.56 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.1 m -106.54 158.24 17.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.449 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 12.8 m -96.11 177.4 5.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.569 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 18.9 tptp -62.71 -39.84 95.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.21 -26.21 55.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -69.94 -20.2 63.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.569 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 14.1 m0 -78.84 114.64 45.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.515 0.674 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 149.15 66.02 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.232 . . . . 0.0 112.31 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -78.94 127.95 32.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.1 m -135.57 155.66 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -98.01 116.01 29.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.2 tpp -84.17 114.9 22.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -98.8 115.89 29.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.459 HG11 ' CB ' ' A' ' 125' ' ' ALA . 92.1 t -113.15 100.48 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.521 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -80.13 -175.14 4.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -50.64 -61.87 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.86 32.24 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.463 HG22 ' N ' ' A' ' 65' ' ' VAL . 64.7 m -149.17 156.14 41.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.463 ' N ' HG22 ' A' ' 64' ' ' THR . 86.0 t -136.79 114.78 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 m -114.54 147.89 38.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.511 HG12 HD12 ' A' ' 77' ' ' LEU . 91.8 t -109.12 109.93 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.0 mt -106.36 136.71 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.5 t -63.65 144.44 57.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.419 ' C ' ' CD ' ' A' ' 70' ' ' GLU . 5.7 tm-20 -60.18 -39.13 85.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -72.13 -73.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -75.14 168.63 19.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 13.9 pt-20 -113.32 -37.61 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 9.1 pm0 -88.95 7.89 32.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -87.08 89.19 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 76' ' ' VAL . 1.7 p -79.84 95.5 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.511 HD12 HG12 ' A' ' 67' ' ' VAL . 45.1 mt -62.44 -40.5 96.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 79' ' ' GLU . 35.0 t -153.33 152.51 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.4 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.0 tt0 -132.08 104.5 6.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.6 t -114.23 135.23 54.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.514 ' HB2' ' CD2' ' A' ' 84' ' ' PHE . 6.2 mpt_? -115.63 138.28 51.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 130' ' ' CYS . 99.8 t -44.17 -37.33 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 14.8 ptt180 -65.01 -35.3 80.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 81' ' ' ARG . 16.6 m-85 -84.26 -16.64 42.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 88' ' ' MET . 3.3 tt -67.67 101.9 1.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.3 t -70.21 -59.08 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.429 ' HB2' HG12 ' A' ' 32' ' ' VAL . 8.6 t80 -154.31 132.21 11.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.544 ' HB3' HD21 ' A' ' 85' ' ' LEU . 6.1 ptp -111.2 167.14 10.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.37 -175.56 46.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 64.5 t -131.53 144.32 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.5 -171.51 5.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -14.37 19.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.36 154.61 29.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.648 ' HB ' HD22 ' A' ' 164' ' ' LEU . 9.4 m -87.6 -6.48 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -87.69 7.34 30.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.463 HG22 ' CE3' ' A' ' 114' ' ' TRP . 43.0 p -123.9 162.47 23.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -155.6 114.2 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.845 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -126.05 133.49 51.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.07 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -129.01 144.03 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.4 mt -99.01 127.44 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 28.2 ptm -126.5 167.26 15.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -115.61 112.82 22.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 -179.869 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.823 0.344 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -98.27 147.96 24.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -106.91 125.78 51.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.8 t -106.89 109.39 21.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -96.16 138.27 34.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.63 HG11 HG23 ' A' ' 41' ' ' ILE . 2.6 t -115.24 144.04 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -140.93 131.26 25.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.493 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 33.7 t-105 -89.17 121.57 31.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 122' ' ' VAL . 66.3 m -96.38 175.09 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 49.2 mt-10 -159.17 126.49 2.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.4 Cg_endo -69.73 -50.3 0.19 OUTLIER 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.345 -0.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.36 177.59 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.67 31.58 2.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.12 -72.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -46.72 -43.27 17.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.632 HG21 ' SG ' ' A' ' 115' ' ' CYS . 95.5 t -60.76 -65.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.0 m -59.74 -19.83 52.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.97 -36.13 62.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.459 ' CB ' HG11 ' A' ' 60' ' ' VAL . . . -67.7 -49.69 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 3.2 p -62.81 -41.42 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.407 ' OE1' ' CD2' ' A' ' 172' ' ' TYR . 2.9 tp-100 -50.81 -50.77 55.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.39 -28.59 59.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.28 -45.13 23.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.576 ' HA ' HG11 ' A' ' 82' ' ' VAL . 78.7 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 164' ' ' LEU . 27.4 t60 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.771 0.32 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.648 HD22 ' HB ' ' A' ' 94' ' ' VAL . 10.3 mt -36.06 -44.16 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 3.9 m -70.09 -50.32 42.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -48.06 -26.6 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.419 ' SD ' ' CE1' ' A' ' 163' ' ' HIS . 77.8 mmm -74.8 -51.17 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -79.89 -7.96 59.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -82.28 -63.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -125.8 -26.53 3.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 83.74 -172.98 50.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 172' ' ' TYR . . . . . 0.407 ' CD2' ' OE1' ' A' ' 127' ' ' GLN . 7.2 t80 -121.37 91.23 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.386 . . . . 0.0 110.939 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.59 115.37 8.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 85' ' ' LEU . 35.7 t30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.567 0.699 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.604 HG23 ' HA ' ' A' ' 61' ' ' ALA . 14.7 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.773 0.321 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.567 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 3.2 pt20 -97.15 134.93 39.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -113.33 139.26 49.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 16' ' ' GLN . 83.3 m-85 -121.38 156.01 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -97.05 108.22 20.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.83 HG12 ' HA ' ' A' ' 115' ' ' CYS . 34.7 m -144.22 172.71 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -108.02 158.11 17.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -109.84 106.25 15.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.655 HD13 HG12 ' A' ' 112' ' ' VAL . 4.9 mp -73.0 -37.05 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.12 -174.38 23.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.7 ttp -108.2 140.18 41.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.624 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -147.01 117.67 4.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.624 ' N ' HD13 ' A' ' 26' ' ' LEU . 54.1 Cg_endo -69.72 146.74 61.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -110.3 156.61 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -80.6 -34.93 34.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -129.06 150.75 76.22 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.624 0.726 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.537 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.77 -15.38 37.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 87' ' ' PHE . 16.8 m -142.91 153.74 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.68 95.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -43.14 -41.39 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -56.17 -42.21 76.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.5 m -72.72 -43.33 63.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.408 ' C ' HD23 ' A' ' 37' ' ' LEU . 10.3 tt -55.48 -43.96 76.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -70.5 -41.77 72.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.0 t -54.1 -18.26 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.96 -39.29 13.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.1 mt -52.59 -54.55 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -57.07 -50.78 71.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -39.99 -34.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.9 mt -90.74 -54.55 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.4 mtt -43.65 -44.86 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.4 p -70.18 -47.1 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.142 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.9 t -44.65 -68.42 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -105.84 176.51 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 p -93.34 165.31 12.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -66.45 -17.82 65.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -93.88 -21.36 19.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.427 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -69.0 -32.4 71.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.474 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 4.5 m0 -61.8 113.55 8.71 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.544 0.687 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 53' ' ' TRP . 53.2 Cg_endo -69.82 131.18 20.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.622 2.215 . . . . 0.0 112.299 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 p -64.78 128.47 35.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 m -138.93 164.52 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -99.35 123.72 43.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.5 ttm -89.5 106.22 18.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 66' ' ' THR . 2.8 m-80 -86.67 119.16 26.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.552 HG13 HG22 ' A' ' 65' ' ' VAL . 59.3 t -122.01 99.02 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.604 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -81.36 -175.77 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.636 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 8.6 t70 -49.92 -59.89 3.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.91 39.53 3.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 61' ' ' ALA . 83.5 m -156.55 151.52 26.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.552 HG22 HG13 ' A' ' 60' ' ' VAL . 84.0 t -134.8 100.3 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' ASN . 9.1 m -100.56 148.86 24.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.183 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 t -112.69 108.27 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 94.4 mt -106.61 146.14 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -79.11 160.81 26.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -75.48 -38.35 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -54.64 -58.46 7.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -118.57 174.49 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -104.0 -40.38 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -63.86 -33.42 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -50.1 112.79 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.56 ' O ' HG22 ' A' ' 76' ' ' VAL . 2.4 p -114.07 80.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 mt -48.29 -63.19 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.9 t -127.01 138.48 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -122.61 94.96 4.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.411 ' SG ' ' CB ' ' A' ' 101' ' ' MET . 29.6 t -106.13 147.58 28.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' PHE . 45.7 mtt180 -123.09 126.92 47.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' ARG . 87.7 t -33.88 -47.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -54.06 -46.77 72.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 81' ' ' ARG . 11.7 m-85 -71.66 -20.17 61.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.3 tt -57.6 113.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.1 t -81.6 -61.11 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.517 ' HB2' HG12 ' A' ' 32' ' ' VAL . 83.3 t80 -150.46 130.41 13.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.652 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.2 ptp -119.03 151.45 38.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.56 173.88 43.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.568 HG11 ' HA ' ' A' ' 94' ' ' VAL . 72.1 t -112.23 143.89 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.86 -165.34 13.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -50.16 -46.49 54.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.753 0.311 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -93.32 134.71 35.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.7 ' HB ' HD22 ' A' ' 164' ' ' LEU . 14.2 m -66.05 -12.71 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 2.6 m80 -75.22 -23.77 57.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 77.2 p -85.92 156.47 20.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -149.41 113.74 5.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.538 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -125.87 142.58 51.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -138.91 141.37 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.9 mt -101.14 115.48 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.411 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER -107.42 158.3 17.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -93.63 104.65 16.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.7 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.854 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 6.7 m-85 -128.05 149.6 50.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -115.44 139.34 50.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 48.6 t -114.79 115.87 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 113' ' ' PHE . 54.5 m80 -100.16 127.1 46.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.655 HG12 HD13 ' A' ' 23' ' ' LEU . 46.1 t -106.79 144.84 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 51.1 m-85 -145.91 136.75 24.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -87.4 112.93 22.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.83 ' HA ' HG12 ' A' ' 20' ' ' VAL . 52.4 m -86.06 166.25 16.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 30.7 mt-10 -153.51 129.47 5.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.661 0.743 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.541 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 54.1 Cg_endo -69.76 -49.23 0.24 Allowed 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.354 0.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.98 179.42 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.17 45.57 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.58 -49.91 6.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -72.93 -36.22 67.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 94.3 t -69.41 -56.69 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.2 m -60.63 -33.61 73.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.13 -46.77 73.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.415 ' HB1' ' OE1' ' A' ' 16' ' ' GLN . . . -59.87 -52.25 66.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.4 p -63.12 -46.7 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.501 ' N ' HG13 ' A' ' 126' ' ' VAL . 51.4 tt0 -55.22 -56.81 15.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 129' ' ' ALA . . . -61.74 -45.21 94.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -34.8 -43.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 72.7 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.936 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 18.7 t60 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.7 HD22 ' HB ' ' A' ' 94' ' ' VAL . 26.9 mt -48.04 -53.8 15.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 36.3 m -51.46 -48.48 62.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -54.64 -44.49 73.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 54.2 mmm -56.35 -35.18 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -83.21 -26.89 30.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -68.54 -72.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -109.73 -44.64 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 98.65 -149.06 19.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -138.77 124.46 19.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.903 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -108.18 118.7 37.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 17.8 t30 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.635 HG23 ' HA ' ' A' ' 61' ' ' ALA . 14.2 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.808 0.337 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.568 ' HG2' ' CZ ' ' A' ' 18' ' ' PHE . 1.9 tt0 -102.88 137.89 40.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -119.06 131.64 55.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 16' ' ' GLN . 16.4 m-85 -108.41 161.21 15.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -96.24 110.06 22.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 115' ' ' CYS . 22.5 m -145.81 173.52 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -107.34 166.36 10.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -117.22 116.28 26.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.902 HD13 HG12 ' A' ' 112' ' ' VAL . 5.5 mp -81.97 -43.05 18.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.67 -167.54 29.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.509 ' O ' HD21 ' A' ' 44' ' ' LEU . 16.0 ttp -116.8 141.19 48.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.532 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -145.33 117.12 5.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.915 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 138.33 37.55 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.3 m -109.09 147.44 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -78.32 -38.06 43.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -113.74 144.46 31.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.588 0.708 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -24.68 29.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.467 HG12 ' HB2' ' A' ' 87' ' ' PHE . 24.0 m -133.9 172.93 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.72 100.17 2.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.442 ' CE ' ' HA ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -45.72 -40.37 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.755 0.312 . . . . 0.0 110.851 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -54.66 -35.26 63.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.9 m -78.64 -45.17 22.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 98' ' ' ALA . 8.4 tt -56.94 -50.05 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.455 ' HA ' HD12 ' A' ' 41' ' ' ILE . 75.1 m-20 -58.65 -42.58 88.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 t -56.0 -15.61 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -92.68 -38.07 12.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 38' ' ' ASN . 51.8 mt -59.67 -61.83 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -51.33 -45.84 62.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.419 HD22 HD11 ' A' ' 26' ' ' LEU . 77.1 m-20 -43.98 -42.61 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.509 HD21 ' O ' ' A' ' 25' ' ' MET . 13.8 mt -82.17 -49.2 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 mtt -47.07 -31.83 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.3 p -79.0 -47.06 16.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.7 t -53.2 -55.63 22.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.7 m -111.52 164.54 12.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.1 m -96.75 166.25 11.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 30.7 tttm -56.5 -44.09 80.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.954 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.76 -24.66 60.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.31 -27.26 67.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.475 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 8.5 m0 -70.12 113.73 20.02 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.544 0.687 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 135.66 31.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.4 m -71.19 125.95 28.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.3 m -135.71 172.23 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -103.83 123.69 47.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.6 tpp -94.1 107.7 19.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -94.38 127.65 40.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.635 HG13 HG22 ' A' ' 65' ' ' VAL . 84.0 t -127.99 98.43 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.635 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -75.93 -178.47 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.627 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 18.5 t0 -43.7 -59.93 2.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.15 33.33 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ALA . 27.7 m -145.71 150.39 36.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 60' ' ' VAL . 86.4 t -134.73 99.95 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -101.82 141.99 33.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.452 HG12 ' HB2' ' A' ' 77' ' ' LEU . 74.2 t -108.91 103.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.158 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.9 mt -101.94 150.38 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.7 t -76.21 169.76 17.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -86.31 -43.66 12.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -60.97 -52.98 62.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -105.7 168.16 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -114.48 -35.13 5.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -77.45 -12.25 59.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -69.64 118.0 11.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.1 t -104.45 79.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.452 ' HB2' HG12 ' A' ' 67' ' ' VAL . 68.3 mt -45.84 -64.62 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.412 HG11 ' CD2' ' A' ' 111' ' ' HIS . 85.8 t -136.26 126.79 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -104.31 101.6 11.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.7 t -113.08 144.96 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -119.66 136.3 54.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.488 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 20.3 t -62.03 -20.29 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -75.21 -21.75 58.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 85' ' ' LEU . 30.6 m-85 -97.39 -39.92 8.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.4 tt -37.27 114.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.9 p -82.76 -45.67 14.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.467 ' HB2' HG12 ' A' ' 32' ' ' VAL . 64.1 t80 -156.25 149.08 23.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.411 ' HB3' HD21 ' A' ' 85' ' ' LEU . 14.8 ptp -134.73 158.32 44.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.22 -176.35 39.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.537 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.707 HG11 ' HA ' ' A' ' 94' ' ' VAL . 59.4 t -128.07 141.04 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 111.163 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.415 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . -68.14 -180.0 18.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.12 -31.43 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -104.46 118.21 36.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.707 ' HA ' HG11 ' A' ' 90' ' ' VAL . 2.4 m -51.68 -29.29 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -55.74 -33.57 64.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.411 ' O ' HG13 ' A' ' 90' ' ' VAL . 29.8 p -81.76 162.35 22.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -158.41 113.17 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.653 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -126.57 148.1 49.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.142 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -137.6 148.53 45.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.3 mt -103.7 124.59 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 16.7 ptm -121.04 164.19 17.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 102' ' ' ASP . 0.4 OUTLIER -109.27 111.35 22.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.897 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.882 0.373 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -125.47 144.45 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -108.65 138.44 44.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.3 t -121.22 116.81 25.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.412 ' CD2' HG11 ' A' ' 78' ' ' VAL . 94.3 m-70 -94.8 148.5 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.902 HG12 HD13 ' A' ' 23' ' ' LEU . 41.7 t -124.66 135.89 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -139.38 136.03 34.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -85.51 112.86 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.581 ' HA ' HG12 ' A' ' 20' ' ' VAL . 83.9 m -84.15 159.67 21.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.5 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 52.9 mt-10 -145.81 128.63 8.12 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.601 0.715 . . . . 0.0 110.852 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 54.1 Cg_endo -69.75 -45.66 0.41 Allowed 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.325 -0.008 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -127.92 -179.23 4.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.99 51.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.074 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.01 -61.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -69.93 -57.67 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.9 t -42.23 -57.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.555 ' HB2' ' HE1' ' A' ' 163' ' ' HIS . 70.4 m -65.21 -25.0 67.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -76.3 -31.39 58.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.83 -43.98 28.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.54 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.0 p -65.02 -50.11 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.54 ' N ' HG13 ' A' ' 126' ' ' VAL . 8.3 pt20 -61.79 -39.57 92.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.78 -38.93 76.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.627 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -50.33 -38.77 43.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.421 ' SG ' ' CG1' ' A' ' 82' ' ' VAL . 84.1 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' HIS . . . . . 0.555 ' HE1' ' HB2' ' A' ' 123' ' ' SER . 1.8 t-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.83 0.348 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 89.7 mt -42.5 -43.54 3.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 168' ' ' GLN . 11.4 m -62.14 -64.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 165' ' ' SER . 29.4 mtpt -38.3 -39.04 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 15.8 mmm -65.7 -41.52 92.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 165' ' ' SER . 44.6 mt-30 -78.6 -21.97 47.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -76.38 -75.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.96 -32.0 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 90.76 -149.96 20.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -144.18 120.16 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.929 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -100.16 115.63 30.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 50.4 t30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.628 0.728 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 61' ' ' ALA . 11.0 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -119.87 124.48 46.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -97.34 149.79 21.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -133.28 139.37 46.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -79.91 110.59 15.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -143.31 -176.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -117.35 165.07 13.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -113.59 117.3 31.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -83.55 -43.18 15.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.701 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 149.09 -178.55 26.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.1 ttp -116.74 125.24 51.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.547 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -128.83 117.42 19.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.547 ' N ' HD13 ' A' ' 26' ' ' LEU . 54.0 Cg_endo -69.83 140.14 41.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 m -110.3 -176.79 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.6 -42.16 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 -103.94 143.02 25.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.59 0.71 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -23.64 30.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.318 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.38 169.48 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.21 104.79 2.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.5 mmt -51.56 -41.55 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.59 -29.5 11.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.9 m -88.61 -45.53 9.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.602 HD21 ' HB3' ' A' ' 98' ' ' ALA . 8.7 tt -57.29 -52.24 66.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.509 ' HA ' HD12 ' A' ' 41' ' ' ILE . 2.8 m-80 -59.0 -45.16 91.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.1 t -52.18 -20.06 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -87.55 -34.07 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 38' ' ' ASN . 51.6 mt -62.28 -56.49 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 46' ' ' THR . 13.1 mt-10 -52.25 -45.95 65.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -44.26 -49.22 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.701 HD22 ' HA3' ' A' ' 24' ' ' GLY . 9.5 mt -76.05 -53.99 7.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.431 ' HG3' HG22 ' A' ' 41' ' ' ILE . 3.1 mtt -41.89 -43.8 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 42' ' ' GLU . 68.8 p -73.06 -30.82 63.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' LEU . 2.8 t -68.54 -64.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.0 m -101.62 157.76 16.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.6 m -94.53 161.29 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.433 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 23.1 tttt -48.55 -45.44 37.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.9 -38.32 73.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -54.06 -35.71 62.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.433 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 11.3 m0 -62.19 113.39 8.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.499 0.666 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.54 40.48 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.734 2.289 . . . . 0.0 112.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.1 m -73.13 124.01 24.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.4 m -132.98 167.72 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -104.26 120.58 41.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.41 ' HE1' ' CD1' ' A' ' 113' ' ' PHE . 44.4 ttm -90.15 98.54 11.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -84.55 109.84 18.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.532 HG13 HG22 ' A' ' 65' ' ' VAL . 90.7 t -109.81 98.64 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.454 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -76.83 -176.99 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.86 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 12.5 t70 -49.89 -60.96 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.64 37.21 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.532 HG23 ' HG3' ' A' ' 81' ' ' ARG . 93.2 m -155.44 150.38 26.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.532 HG22 HG13 ' A' ' 60' ' ' VAL . 95.1 t -133.81 103.25 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 m -105.6 143.43 33.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.95 118.29 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.5 mt -112.54 147.54 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.7 t -81.59 118.83 23.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -38.71 -35.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -70.39 -65.55 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' HB3' ' CB ' ' A' ' 75' ' ' GLU . 49.2 t-20 -98.94 132.79 44.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -38.93 35.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -78.8 -0.48 30.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.439 ' CB ' ' HB3' ' A' ' 72' ' ' ASN . 19.2 tt0 -85.46 107.26 17.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.2 t -99.26 96.21 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 66.0 mt -62.84 -43.56 98.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.421 HG11 ' CE1' ' A' ' 111' ' ' HIS . 95.8 t -152.12 129.88 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.065 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -108.63 95.81 5.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 t -101.76 148.11 25.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.532 ' HG3' HG23 ' A' ' 64' ' ' THR . 0.4 OUTLIER -131.13 119.81 22.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.852 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.62 HG11 ' HA ' ' A' ' 130' ' ' CYS . 58.9 t -34.15 -59.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -39.42 -49.78 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 85' ' ' LEU . 14.8 m-85 -70.01 -39.94 75.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.751 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.2 tt -37.72 116.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.7 p -81.83 -58.93 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -151.01 130.54 12.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.751 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.6 ptp -120.35 148.73 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.66 -170.4 29.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 96' ' ' THR . 79.5 t -128.56 143.75 40.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -72.11 -171.39 16.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -50.44 -43.5 55.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.4 122.58 38.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.538 ' HA ' HG11 ' A' ' 90' ' ' VAL . 12.1 m -55.19 -26.76 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -58.31 -23.31 56.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.556 ' O ' HG13 ' A' ' 90' ' ' VAL . 62.4 p -95.2 158.86 15.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -155.72 114.25 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.602 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -126.44 148.25 49.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.463 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 5.7 p90 -139.18 142.89 37.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.6 mt -100.65 125.82 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.3 ptm -123.05 168.93 11.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -105.99 113.1 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.5 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.918 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.5 ptt85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.832 0.349 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -119.45 139.63 51.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -106.4 137.21 44.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.9 t -112.28 110.78 21.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.421 ' CE1' HG11 ' A' ' 78' ' ' VAL . 39.0 m-70 -93.92 134.04 36.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.2 t -113.29 142.07 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.41 ' CD1' ' HE1' ' A' ' 58' ' ' MET . 18.1 m-85 -144.03 130.48 19.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.431 ' HZ3' ' HE1' ' A' ' 45' ' ' MET . 44.7 t-105 -80.24 124.26 28.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.552 ' SG ' HG21 ' A' ' 122' ' ' VAL . 90.9 m -99.44 159.4 15.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.466 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 30.0 mt-10 -146.65 126.21 6.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.667 0.746 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.3 Cg_endo -69.71 -48.02 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.753 -1.769 . . . . 0.0 112.341 -0.034 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.407 ' ND2' ' HG2' ' A' ' 117' ' ' PRO . 0.2 OUTLIER -121.94 179.14 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.505 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -98.96 46.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.5 -57.05 3.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -66.67 -36.04 81.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.552 HG21 ' SG ' ' A' ' 115' ' ' CYS . 89.4 t -66.6 -44.33 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.8 p -77.94 -21.96 50.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -79.42 -42.73 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.89 -48.32 71.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 127' ' ' GLN . 11.0 p -65.71 -46.24 89.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.526 ' N ' HG13 ' A' ' 126' ' ' VAL . 7.5 tt0 -59.74 -49.93 75.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.72 -41.84 87.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.86 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -43.73 -43.16 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.62 ' HA ' HG11 ' A' ' 82' ' ' VAL . 77.9 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.5 t60 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.863 0.363 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.505 HD21 ' C ' ' A' ' 119' ' ' ALA . 8.3 mt -51.19 -43.59 61.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 32.2 m -52.47 -46.43 66.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -56.94 -43.62 81.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 87.3 mmm -58.12 -50.65 72.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -71.32 -13.0 61.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -82.11 -72.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -107.13 -23.58 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 72.84 -169.16 52.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -125.51 124.46 41.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.912 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -105.33 116.49 32.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 25.2 t30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.877 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.549 HG23 ' N ' ' A' ' 61' ' ' ALA . 13.1 p . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.782 0.325 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -96.43 139.88 31.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 149.14 32.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -132.44 136.92 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 tpp85 -75.08 114.01 13.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 m -146.45 172.15 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -110.6 159.19 17.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -110.17 110.27 21.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.994 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 5.4 mp -77.65 -41.84 36.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.09 -178.16 28.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.7 ttp -109.32 139.74 43.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.644 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -142.2 117.38 6.79 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 0.0 110.87 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.439 ' HD2' HD13 ' A' ' 26' ' ' LEU . 54.0 Cg_endo -69.78 155.13 66.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.236 . . . . 0.0 112.397 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 m -135.72 153.04 32.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -104.61 -9.93 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -115.64 135.75 22.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -30.06 22.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.228 . . . . 0.0 112.339 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.4 m -138.99 -175.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.06 105.63 2.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 67.1 mmm -52.25 -29.39 22.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.01 -33.85 76.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.0 m -82.92 -41.66 18.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' C ' HD23 ' A' ' 37' ' ' LEU . 9.9 tt -62.32 -43.78 98.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -72.88 -41.04 65.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 t -53.15 -20.8 4.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -87.24 -33.79 19.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.072 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mt -55.52 -64.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 44' ' ' LEU . 3.3 mm-40 -48.57 -57.98 5.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' GLU . 33.3 m-20 -35.39 -34.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' GLU . 22.8 mt -85.82 -54.55 4.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.4 mtp -46.19 -46.33 17.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 42' ' ' GLU . 8.8 t -63.94 -24.72 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 t -77.11 -52.04 9.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.0 m -121.09 144.16 48.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 m -75.31 170.77 15.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 68.8 tttt -59.23 -45.37 91.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -74.43 -22.0 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.08 -20.53 62.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.544 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.4 m0 -78.83 120.85 82.37 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 160.82 48.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.298 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.4 p -93.66 127.62 39.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.68 HG11 ' CD1' ' A' ' 77' ' ' LEU . 25.4 m -135.61 161.4 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -100.68 116.95 33.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.9 ttm -88.32 98.47 11.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -86.16 119.5 26.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.506 HG13 HG22 ' A' ' 65' ' ' VAL . 88.9 t -117.23 99.76 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.549 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -76.12 -176.85 3.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -40.4 -66.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.64 29.46 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 61' ' ' ALA . 9.9 m -139.41 148.54 42.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.506 HG22 HG13 ' A' ' 60' ' ' VAL . 77.5 t -129.56 102.2 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.475 ' CG2' HG13 ' A' ' 76' ' ' VAL . 1.6 m -108.56 135.69 49.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.501 HG12 ' HB2' ' A' ' 77' ' ' LEU . 90.5 t -103.62 112.82 38.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.7 mt -109.14 137.24 42.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.5 t -58.19 144.27 41.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -64.1 -32.18 73.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -70.22 -72.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.46 163.81 16.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 1.2 pm0 -114.29 14.03 17.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -127.65 -0.39 6.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -90.71 94.8 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.475 HG13 ' CG2' ' A' ' 66' ' ' THR . 40.4 t -76.2 90.07 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.68 ' CD1' HG11 ' A' ' 56' ' ' VAL . 62.5 mt -53.29 -50.88 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.8 t -145.26 129.5 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' O ' ' HE1' ' A' ' 101' ' ' MET . 17.8 tt0 -105.53 95.87 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 8.8 t -111.61 145.36 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.481 ' HD3' ' CE1' ' A' ' 84' ' ' PHE . 13.9 ttt180 -116.4 121.47 42.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.5 t -42.01 -39.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -68.19 -38.16 81.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.481 ' CE1' ' HD3' ' A' ' 81' ' ' ARG . 3.3 m-85 -74.42 -18.01 60.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.543 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.8 tt -59.32 114.3 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.4 t -77.18 -47.19 20.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.682 ' HB2' HG12 ' A' ' 32' ' ' VAL . 87.9 t80 -164.11 141.87 7.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.543 ' HB3' HD21 ' A' ' 85' ' ' LEU . 6.4 ptp -130.11 160.8 32.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.4 -175.78 39.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 91' ' ' GLY . 23.2 t -128.59 139.62 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.383 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.462 ' O ' HG12 ' A' ' 90' ' ' VAL . . . -64.64 -179.53 6.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -45.99 -38.47 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.747 0.308 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.94 156.12 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.655 HG12 ' HB3' ' A' ' 164' ' ' LEU . 35.4 m -90.39 7.81 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -96.03 -14.77 22.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 78.5 p -104.2 148.66 26.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.464 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 21.2 t80 -145.91 115.2 7.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -123.37 148.77 45.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 99' ' ' PHE . 3.5 p90 -139.09 150.77 46.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.3 mt -110.42 123.81 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.431 ' HE1' ' O ' ' A' ' 79' ' ' GLU . 7.2 ptm -112.94 161.49 16.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -102.58 104.65 15.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -179.899 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 107' ' ' ARG . 2.6 ptp180 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.827 0.346 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -124.32 159.8 29.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -114.16 144.1 43.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.2 t -122.76 116.08 23.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -109.18 142.39 40.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.9 t -120.02 146.0 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -144.96 129.71 18.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -81.53 116.26 21.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.466 ' SG ' HG21 ' A' ' 122' ' ' VAL . 61.4 m -96.0 146.98 24.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.502 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.8 mm-40 -129.44 127.98 23.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.578 0.704 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.7 Cg_endo -69.74 -47.96 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.354 -0.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -124.35 176.36 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -93.89 40.22 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.685 ' HB2' HD21 ' A' ' 164' ' ' LEU . . . -79.86 -54.61 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -72.99 -18.82 61.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.466 HG21 ' SG ' ' A' ' 115' ' ' CYS . 39.7 t -81.87 -45.09 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.416 ' HA ' HG12 ' A' ' 126' ' ' VAL . 1.9 m -72.92 -32.18 65.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 5.7 pt-20 -65.24 -43.09 92.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 124' ' ' GLU . . . -63.45 -47.28 82.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 123' ' ' SER . 7.5 p -71.65 -37.4 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -59.03 -49.22 78.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.81 -37.62 76.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -45.41 -36.08 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.889 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.3 t60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.857 0.361 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -42.32 -54.75 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.963 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 169' ' ' GLN . 80.5 p -39.55 -58.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.04 -42.41 18.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 47.2 mmm -65.26 -47.01 78.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -82.41 -4.73 57.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 165' ' ' SER . 21.3 mt-30 -94.51 -68.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -107.93 -29.78 8.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 84.62 -158.15 33.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.464 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 172' ' ' TYR . . . . . 0.44 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 32.9 t80 -139.62 126.94 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -105.78 120.02 40.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 19.4 t30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.66 0.743 . . . . 0.0 110.828 -179.904 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 61' ' ' ALA . 7.7 p . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.807 0.337 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -112.41 128.17 56.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -99.71 148.72 24.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -132.12 141.84 49.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' NH1' ' OE2' ' A' ' 116' ' ' GLU . 3.8 tmm_? -79.38 114.74 18.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.615 HG12 ' HA ' ' A' ' 115' ' ' CYS . 34.6 m -150.66 178.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -116.77 164.88 13.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -116.7 116.4 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.074 HD13 HG12 ' A' ' 112' ' ' VAL . 5.3 mp -80.89 -36.18 31.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.37 -172.43 24.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.449 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.0 ttp -115.48 138.72 50.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.799 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -141.13 121.6 8.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 110.954 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.557 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.9 Cg_endo -69.69 141.56 45.87 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.388 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.527 ' HB ' HG22 ' A' ' 36' ' ' THR . 34.4 m -115.95 158.93 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.71 -41.48 12.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.516 ' H ' HG21 ' A' ' 36' ' ' THR . 75.2 mtt180 -115.33 145.09 33.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -36.14 11.26 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.468 HG12 ' HB2' ' A' ' 87' ' ' PHE . 30.7 m -118.6 153.69 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.63 101.78 1.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.496 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 2.4 mmt -44.2 -40.19 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -54.23 -37.22 64.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.527 HG22 ' HB ' ' A' ' 28' ' ' VAL . 25.2 m -79.24 -43.99 22.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.951 HD21 ' HB3' ' A' ' 98' ' ' ALA . 10.3 tt -59.97 -58.32 9.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 34' ' ' MET . 63.6 m-80 -56.81 -47.66 79.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 t -39.36 -27.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.799 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -82.47 -41.52 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 38' ' ' ASN . 75.7 mt -46.36 -60.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -55.8 -51.66 66.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -41.71 -38.22 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mt -83.24 -54.35 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.7 mtt -46.79 -35.35 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 p -66.17 -53.28 39.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.8 t -63.56 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 p -95.88 142.8 27.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -96.58 164.9 12.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 34.1 tttm -41.79 -47.37 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -70.27 -33.09 71.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.24 -29.47 67.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 2.4 m0 -77.03 114.36 38.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.621 0.724 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 160.83 48.25 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.645 2.23 . . . . 0.0 112.324 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 m -91.42 122.79 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.662 HG11 HD11 ' A' ' 77' ' ' LEU . 31.4 m -136.64 165.53 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -101.35 125.06 47.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.419 ' HB2' ' HE2' ' A' ' 58' ' ' MET . 27.3 ttm -90.67 101.56 14.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -85.66 106.14 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.509 HG13 HG22 ' A' ' 65' ' ' VAL . 94.8 t -106.94 100.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.507 ' HB3' ' HB ' ' A' ' 64' ' ' THR . . . -79.8 177.79 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.412 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 5.7 t70 -47.69 -58.27 4.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.09 40.89 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.507 ' HB ' ' HB3' ' A' ' 61' ' ' ALA . 88.3 m -158.1 149.14 20.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.509 HG22 HG13 ' A' ' 60' ' ' VAL . 98.3 t -134.43 98.92 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.9 m -105.81 151.15 24.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.606 HG12 HD12 ' A' ' 77' ' ' LEU . 86.0 t -114.24 116.32 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.4 mt -114.97 148.33 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -71.42 168.8 16.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -84.8 -40.12 17.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 72' ' ' ASN . 0.1 OUTLIER -71.16 -44.88 64.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.469 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 59.9 m-20 -106.35 165.65 11.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -112.53 -39.98 4.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -72.28 -34.56 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -48.74 105.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.664 ' O ' HG22 ' A' ' 76' ' ' VAL . 1.1 p -98.86 84.51 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.662 HD11 HG11 ' A' ' 56' ' ' VAL . 71.6 mt -47.52 -56.43 7.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.449 HG21 ' CD2' ' A' ' 111' ' ' HIS . 78.7 t -141.63 132.53 26.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -113.56 96.4 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.0 t -107.8 145.0 34.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 82' ' ' VAL . 1.1 mpt_? -118.37 127.69 53.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.602 HG11 ' HA ' ' A' ' 130' ' ' CYS . 89.4 t -36.71 -48.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -49.8 -46.12 50.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 81' ' ' ARG . 11.4 m-85 -67.75 -34.41 76.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.4 tt -47.7 112.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.3 p -86.69 -38.94 16.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.468 ' HB2' HG12 ' A' ' 32' ' ' VAL . 66.0 t80 -166.74 136.44 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.606 ' HB3' HD21 ' A' ' 85' ' ' LEU . 8.2 ptp -125.68 150.26 47.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -163.82 -171.87 30.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.575 HG11 ' HA ' ' A' ' 94' ' ' VAL . 71.9 t -126.7 143.67 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.147 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -77.32 177.86 52.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -37.54 -47.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.73 0.3 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -91.82 122.35 34.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.815 ' HB ' HD22 ' A' ' 164' ' ' LEU . 16.1 m -55.05 -21.41 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 2.4 m80 -67.19 -24.83 65.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.571 ' O ' HG13 ' A' ' 90' ' ' VAL . 59.0 p -87.63 152.47 22.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -145.02 115.42 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.951 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -125.93 150.18 48.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -151.4 140.41 21.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.606 ' CD1' HD12 ' A' ' 37' ' ' LEU . 5.0 mp -96.37 130.81 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.6 ptm -118.87 148.39 42.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.03 109.69 21.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 80.0 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.865 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.851 0.358 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -105.23 145.17 31.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -107.32 149.08 28.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 41.9 t -121.79 110.88 16.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.484 ' HB3' ' CE1' ' A' ' 113' ' ' PHE . 80.3 m80 -91.83 133.6 35.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 1.074 HG12 HD13 ' A' ' 23' ' ' LEU . 66.6 t -113.16 135.36 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 15.7 m-85 -136.44 133.95 37.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.418 ' CE3' HG22 ' A' ' 96' ' ' THR . 51.2 t-105 -87.33 122.83 31.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.615 ' HA ' HG12 ' A' ' 20' ' ' VAL . 81.8 m -98.61 161.99 13.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 44.0 mt-10 -146.21 129.11 8.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 110.879 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.581 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 53.9 Cg_endo -69.79 -49.08 0.24 Allowed 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.338 0.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.409 ' HB2' HD11 ' A' ' 164' ' ' LEU . 1.0 OUTLIER -117.16 -178.61 3.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.56 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -101.97 38.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.6 -57.1 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.26 -48.58 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.45 -64.45 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.1 m -50.41 -38.43 42.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.38 -43.12 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.6 -47.59 83.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.577 HG13 ' N ' ' A' ' 127' ' ' GLN . 11.8 p -67.78 -49.01 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.577 ' N ' HG13 ' A' ' 126' ' ' VAL . 22.7 tt0 -51.51 -48.47 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 129' ' ' ALA . . . -68.36 -42.14 79.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -38.03 -45.61 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.602 ' HA ' HG11 ' A' ' 82' ' ' VAL . 65.8 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.801 0.334 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.815 HD22 ' HB ' ' A' ' 94' ' ' VAL . 8.4 mt -39.58 -55.78 1.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.418 ' O ' ' CG ' ' A' ' 168' ' ' GLN . 1.8 m -53.41 -51.32 62.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -49.02 -44.15 41.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 87.2 mmm -53.91 -53.86 46.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 165' ' ' SER . 3.4 pt20 -67.69 -23.97 65.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -70.15 -68.18 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -114.63 -27.59 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 70.74 -172.71 42.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -123.99 133.45 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.939 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -110.34 118.61 36.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 14.7 t30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.648 0.737 . . . . 0.0 110.925 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.805 HG22 ' HB2' ' A' ' 61' ' ' ALA . 85.0 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.802 0.334 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -106.02 113.25 26.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -83.6 124.67 31.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -115.96 134.01 55.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -78.34 106.6 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.4 m -140.31 173.42 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -114.18 152.95 30.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -101.13 106.86 18.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.863 HD13 HG12 ' A' ' 112' ' ' VAL . 5.9 mp -75.22 -55.31 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.627 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 160.53 -177.04 37.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.569 ' O ' HD21 ' A' ' 44' ' ' LEU . 26.9 ttp -107.67 149.42 28.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.557 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.5 OUTLIER -157.68 117.3 1.93 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 0.0 110.948 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 142.02 46.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.665 2.244 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.4 m -116.1 144.76 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -63.67 -45.17 91.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -121.61 151.7 57.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.553 ' HB3' ' CD2' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.8 -39.22 6.7 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.667 2.244 . . . . 0.0 112.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.2 m -103.18 -175.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.13 103.93 0.84 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.447 ' CE ' ' HA ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -53.24 -52.54 58.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.854 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -44.02 -35.42 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.6 m -78.12 -39.96 39.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.8 tt -64.1 -55.62 20.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -53.34 -34.84 59.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 t -58.26 -19.71 36.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.557 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -88.27 -35.18 17.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.07 -62.86 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -48.12 -51.09 26.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -39.9 -54.64 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.627 HD22 ' HA3' ' A' ' 24' ' ' GLY . 6.3 mt -68.78 -60.18 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.477 ' HE2' HD21 ' A' ' 23' ' ' LEU . 6.2 mtt -38.34 -40.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.7 p -73.66 -37.38 65.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' LEU . 67.0 m -66.85 -58.26 5.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.6 m -103.18 169.55 8.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.496 ' O ' ' NE1' ' A' ' 53' ' ' TRP . 13.4 p -98.59 159.02 15.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 19.1 tttt -62.63 -18.34 62.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -92.27 -31.86 15.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.86 -34.55 76.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.523 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 2.1 m0 -61.7 112.24 5.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.524 0.678 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 136.81 33.91 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.724 2.282 . . . . 0.0 112.322 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 m -72.98 111.04 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.1 m -115.89 168.71 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -98.99 124.48 43.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.402 ' HE1' ' CD2' ' A' ' 113' ' ' PHE . 55.8 ttm -92.69 101.59 14.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.545 ' HB3' HG11 ' A' ' 15' ' ' VAL . 13.9 m120 -76.24 100.52 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.2 t -102.47 98.18 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.805 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -93.92 173.08 7.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.557 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 31.0 t0 -39.51 -70.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.436 ' O ' HG22 ' A' ' 82' ' ' VAL . . . -120.5 42.92 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -158.28 149.82 21.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.143 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.3 t -140.23 106.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.0 m -110.95 145.67 37.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.756 HG12 HD12 ' A' ' 77' ' ' LEU . 53.0 t -110.68 105.42 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 69' ' ' SER . 83.0 mt -104.27 153.26 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 68' ' ' ILE . 8.3 t -76.27 160.88 29.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -72.79 -37.17 67.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -85.59 -57.67 2.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -81.14 141.93 33.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -100.73 -37.22 8.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -82.22 -12.62 57.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -67.91 97.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 76' ' ' VAL . 94.6 t -86.63 76.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.756 HD12 HG12 ' A' ' 67' ' ' VAL . 33.5 mt -42.73 -72.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.7 t -127.82 129.39 69.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -104.46 97.79 7.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.724 ' HA ' ' HE3' ' A' ' 101' ' ' MET . 38.9 t -105.55 148.14 27.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 82' ' ' VAL . 58.4 mtt180 -140.95 124.51 16.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.495 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 2.3 m -34.12 -45.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.2 mtm-85 -45.94 -48.96 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 81' ' ' ARG . 33.3 m-85 -75.44 -32.03 60.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.9 tt -47.48 100.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.9 p -78.12 -47.0 19.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -158.19 141.0 14.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.609 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.4 ptp -129.24 153.24 47.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.42 -170.41 26.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.9 t -134.34 146.23 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 92' ' ' LYS . . . -85.87 164.09 37.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 91' ' ' GLY . 7.0 mtpm? -34.89 -43.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -81.82 108.75 15.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.9 m -55.76 -16.43 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 9.1 m80 -84.68 27.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.545 HG22 ' CE3' ' A' ' 114' ' ' TRP . 31.1 p -136.33 164.24 28.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -156.42 116.1 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.663 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -129.61 136.0 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -132.38 145.15 51.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.447 HG21 ' HA ' ' A' ' 31' ' ' PRO . 68.6 mt -100.93 119.35 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.724 ' HE3' ' HA ' ' A' ' 80' ' ' CYS . 24.0 ptm -118.45 155.76 30.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -94.12 104.11 16.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.463 HG23 ' HG3' ' A' ' 101' ' ' MET . 70.4 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 31' ' ' PRO . 7.2 m-85 -101.31 143.18 31.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -105.3 157.21 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.4 t -124.38 111.6 15.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -92.52 130.87 38.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.863 HG12 HD13 ' A' ' 23' ' ' LEU . 40.8 t -109.15 139.38 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.402 ' CD2' ' HE1' ' A' ' 58' ' ' MET . 90.9 m-85 -143.6 119.99 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.545 ' CE3' HG22 ' A' ' 96' ' ' THR . 34.8 t-105 -74.56 125.05 27.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.402 ' C ' ' HG2' ' A' ' 116' ' ' GLU . 79.9 m -100.96 161.67 13.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.484 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.3 mm-40 -146.29 127.67 7.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.739 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.9 Cg_endo -69.75 -50.77 0.17 OUTLIER 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.366 -0.015 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.59 -176.4 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -103.11 42.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.15 -48.8 19.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 124' ' ' GLU . 4.8 m120 -76.21 -61.09 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 121' ' ' ASN . 99.0 t -36.86 -51.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.3 m -65.78 -39.41 90.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 121' ' ' ASN . 26.2 tt0 -60.03 -42.02 93.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.59 -54.27 42.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 127' ' ' GLN . 6.7 p -62.13 -42.69 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.417 ' N ' HG13 ' A' ' 126' ' ' VAL . 1.9 tp-100 -48.49 -54.84 12.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.59 -38.63 77.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -45.92 -39.62 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 75.5 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 10.1 t60 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.863 0.363 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.03 -46.98 72.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.479 ' HA ' ' CG ' ' A' ' 168' ' ' GLN . 13.4 t -55.09 -56.49 19.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -42.09 -33.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 9.8 mtp -73.09 -53.14 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.479 ' CG ' ' HA ' ' A' ' 165' ' ' SER . 2.7 pt20 -70.4 -12.69 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -85.37 -72.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.55 -41.86 5.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 100.64 -168.33 20.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -139.45 120.37 14.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.959 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -98.9 117.9 34.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 46.1 t-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 121.55 0.69 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 61' ' ' ALA . 11.0 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.833 0.349 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -96.66 149.66 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 146.66 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -134.61 147.92 50.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -87.71 110.9 20.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' ' 115' ' ' CYS . 33.4 m -142.92 -179.26 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -119.53 159.05 25.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -105.92 107.17 18.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.541 HD23 ' HG2' ' A' ' 45' ' ' MET . 5.4 mp -76.06 -35.98 59.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.614 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 142.11 -171.19 24.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -120.28 139.44 52.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.779 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -144.96 118.27 5.5 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 110.908 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.445 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.6 Cg_endo -69.81 146.08 58.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.09 159.67 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -90.57 -33.78 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -117.33 145.23 35.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.727 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.454 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.76 -31.69 20.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.482 HG12 ' HB2' ' A' ' 87' ' ' PHE . 18.3 m -130.54 151.56 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.82 94.42 0.34 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.578 ' CE ' HD22 ' A' ' 37' ' ' LEU . 1.4 mmt -44.16 -38.06 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -57.36 -40.11 77.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.412 ' O ' ' CB ' ' A' ' 39' ' ' SER . 60.0 m -74.14 -46.83 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.578 HD22 ' CE ' ' A' ' 34' ' ' MET . 4.8 tp -43.56 -63.79 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.51 ' HA ' HD12 ' A' ' 41' ' ' ILE . 12.1 m-80 -57.88 -21.65 44.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 36' ' ' THR . 1.9 t -65.41 -29.26 69.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.779 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -87.86 -32.01 19.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 38' ' ' ASN . 89.4 mt -59.23 -61.42 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASN . 10.5 mt-10 -49.3 -55.65 12.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' GLU . 40.9 m-20 -35.3 -51.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.614 HD22 ' HA3' ' A' ' 24' ' ' GLY . 6.4 mt -71.93 -59.3 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.571 ' HE1' HG21 ' A' ' 96' ' ' THR . 15.5 mtt -38.66 -38.09 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.6 p -74.46 -46.24 41.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 m -60.49 -54.39 46.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -108.22 146.99 32.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.573 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 28.0 m -88.28 167.3 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.812 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HA ' ' CD2' ' A' ' 53' ' ' TRP . 44.6 tttm -53.41 -44.41 68.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -71.21 -32.97 69.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.28 -34.38 72.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.573 ' CD1' ' O ' ' A' ' 49' ' ' SER . 4.7 m0 -64.42 112.65 8.2 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.55 0.69 . . . . 0.0 110.934 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 131.8 22.04 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.637 2.225 . . . . 0.0 112.401 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.1 m -68.1 124.79 24.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 m -136.34 168.19 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.55 126.77 51.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.0 ttm -94.2 108.88 20.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.567 ' CG ' HD12 ' A' ' 68' ' ' ILE . 9.0 m120 -92.99 114.16 26.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.574 HG13 HG22 ' A' ' 65' ' ' VAL . 89.8 t -114.37 98.82 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -75.32 179.78 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -43.81 -60.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.58 37.15 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.731 HG23 ' HG3' ' A' ' 81' ' ' ARG . 5.4 m -150.29 151.07 32.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.574 HG22 HG13 ' A' ' 60' ' ' VAL . 74.9 t -132.7 96.75 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.8 m -100.67 144.88 29.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.554 HG12 HD12 ' A' ' 77' ' ' LEU . 54.9 t -108.92 119.09 57.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.567 HD12 ' CG ' ' A' ' 59' ' ' ASN . 46.6 mt -119.47 147.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 t -73.05 173.26 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.15 -38.87 21.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -68.4 -75.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.62 136.93 32.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -88.95 -16.11 32.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -87.21 -12.54 46.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.51 ' OE2' HD23 ' A' ' 77' ' ' LEU . 27.8 tp10 -72.48 116.1 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.8 t -105.59 83.57 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.554 HD12 HG12 ' A' ' 67' ' ' VAL . 47.5 mt -50.97 -53.51 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 94.4 t -143.04 135.6 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -116.35 96.79 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.9 t -108.89 147.08 32.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.731 ' HG3' HG23 ' A' ' 64' ' ' THR . 2.1 mpt_? -118.34 123.89 46.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.818 HG21 ' HB1' ' A' ' 129' ' ' ALA . 74.6 t -34.82 -49.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -52.1 -46.46 65.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' ARG . 4.7 m-85 -66.48 -29.95 70.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.738 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.5 tt -51.04 115.16 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -85.61 -50.2 7.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 2.7 t80 -148.75 142.28 25.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.738 ' HB3' HD21 ' A' ' 85' ' ' LEU . 8.2 ptp -138.36 145.31 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.54 -162.97 17.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 96' ' ' THR . 92.6 t -131.91 144.92 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.338 . . . . 0.0 111.166 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.81 -169.55 23.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -45.46 -47.88 13.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -94.32 139.7 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.589 ' HA ' HG11 ' A' ' 90' ' ' VAL . 9.2 m -70.81 -11.57 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -77.34 -11.81 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.602 ' O ' HG13 ' A' ' 90' ' ' VAL . 73.3 p -100.52 150.73 22.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -143.68 118.61 9.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -133.87 141.3 47.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 99' ' ' PHE . 12.8 p90 -136.16 144.21 44.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.8 mt -105.13 117.75 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.3 ptm -109.09 165.04 11.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -107.74 108.62 19.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -179.91 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.455 ' O ' ' CG ' ' A' ' 107' ' ' ARG . 8.9 ptm180 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.886 0.374 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 4.1 m-85 -120.77 146.15 46.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -111.81 136.42 51.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 32.3 t -112.79 109.23 18.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -95.5 140.7 29.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.5 t -119.42 148.06 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -151.25 128.98 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.422 ' CE3' HG22 ' A' ' 96' ' ' THR . 49.9 t-105 -80.08 119.3 22.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.689 ' HA ' HG12 ' A' ' 20' ' ' VAL . 13.6 m -92.53 165.73 12.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 21.9 mt-10 -151.62 128.65 5.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.646 0.736 . . . . 0.0 110.933 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 54.4 Cg_endo -69.72 -47.93 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.376 0.01 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -119.73 179.76 4.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.453 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -100.77 46.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.25 -62.25 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -58.86 -51.98 67.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 69.4 t -50.88 -52.19 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.0 m -65.36 -33.01 74.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -68.48 -38.93 81.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.18 73.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.5 p -70.63 -41.95 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.433 ' N ' HG13 ' A' ' 126' ' ' VAL . 8.3 tt0 -54.33 -50.87 66.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.71 -41.16 88.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.818 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -40.28 -36.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 74.6 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.929 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 14.0 t60 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.453 HD21 ' C ' ' A' ' 119' ' ' ALA . 30.8 mt -42.28 -53.58 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 87.3 p -54.32 -46.13 72.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -56.69 -32.6 65.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 85.8 mmm -70.97 -54.7 10.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -68.48 -18.93 64.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -79.02 -70.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -109.91 -31.53 7.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 84.69 -166.99 41.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -127.1 129.57 48.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.913 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' ASN . 20.9 mp0 -105.86 106.5 17.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 85' ' ' LEU . 26.8 t30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.632 0.729 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.423 HG23 ' CA ' ' A' ' 61' ' ' ALA . 9.6 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.819 0.342 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -98.64 140.3 33.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.13 144.42 45.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -133.53 148.16 51.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -88.83 110.2 20.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 m -141.81 -175.56 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -121.73 160.41 24.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -112.47 117.5 32.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD21 ' HE2' ' A' ' 45' ' ' MET . 6.2 mp -82.92 -44.14 15.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.17 177.77 21.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.443 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.1 ttp -102.63 140.36 37.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.606 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -148.16 118.24 4.25 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.614 0.721 . . . . 0.0 110.945 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.61 45.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.4 m -109.92 154.95 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.84 -44.13 28.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' H ' HG21 ' A' ' 36' ' ' THR . 2.0 mpt_? -116.57 147.06 38.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.75 -12.23 32.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.376 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 87' ' ' PHE . 21.8 m -141.97 166.51 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.63 103.24 2.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.1 mmt -49.72 -41.33 43.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -54.56 -26.56 32.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.406 HG21 ' H ' ' A' ' 30' ' ' ARG . 88.6 m -91.04 -45.8 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.907 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.4 tt -57.24 -45.45 83.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.95 -48.16 72.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.4 t -44.42 -28.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -83.86 -37.85 21.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.7 mt -52.49 -57.06 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' ASN . 10.7 mt-10 -53.23 -52.37 59.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLU . 74.6 m-20 -37.32 -41.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.4 mt -79.04 -54.94 5.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.515 ' HE2' ' CH2' ' A' ' 53' ' ' TRP . 2.8 mtt -44.99 -41.49 7.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.2 p -60.97 -41.36 96.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.5 m -62.73 -66.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.4 m -109.34 150.18 28.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 56.5 m -81.91 164.08 21.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.838 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.583 ' HA ' ' CH2' ' A' ' 53' ' ' TRP . 1.7 tmtp? -48.09 -59.46 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -68.49 -23.33 64.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.436 ' HB3' ' N ' ' A' ' 49' ' ' SER . 12.3 t0 -65.85 -24.28 66.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.583 ' CH2' ' HA ' ' A' ' 50' ' ' LYS . 5.2 m0 -71.57 132.43 85.5 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.582 0.705 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.68 28.52 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.3 m -72.57 123.85 24.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.1 m -128.24 -177.95 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -124.2 127.13 47.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.7 tpp -94.12 116.13 28.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -104.49 123.78 48.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 65' ' ' VAL . 95.6 t -115.04 98.46 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.423 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -90.96 -178.08 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.071 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.4 102.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 52.93 37.79 25.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.061 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.419 HG23 ' HG3' ' A' ' 81' ' ' ARG . 24.0 m -151.46 148.6 28.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 60' ' ' VAL . 82.2 t -133.63 101.16 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.3 m -100.73 134.21 44.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.703 HG12 HD12 ' A' ' 77' ' ' LEU . 90.1 t -100.95 111.15 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 69' ' ' SER . 59.1 mt -106.79 153.51 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.416 ' N ' HG22 ' A' ' 68' ' ' ILE . 2.1 t -83.78 155.12 23.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -68.17 -43.98 76.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -55.45 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' A' ' 75' ' ' GLU . 3.0 p30 -103.47 161.0 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -100.37 -33.66 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' A' ' 73' ' ' GLU . 11.1 pt-20 -68.4 -31.67 71.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.446 ' HB2' ' ND2' ' A' ' 72' ' ' ASN . 15.2 tp10 -54.87 113.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.46 80.5 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.703 HD12 HG12 ' A' ' 67' ' ' VAL . 97.4 mt -42.65 -59.16 2.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.8 t -148.7 134.31 11.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -107.69 97.17 6.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.6 t -104.36 146.07 29.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.419 ' HG3' HG23 ' A' ' 64' ' ' THR . 35.9 mtt180 -131.14 121.83 25.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.496 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 22.0 t -36.32 -50.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.4 OUTLIER -37.01 -57.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 85' ' ' LEU . 38.1 m-85 -66.06 -41.53 90.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.6 tt -34.31 109.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.9 p -86.14 -37.36 18.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.481 ' HB2' HG12 ' A' ' 32' ' ' VAL . 72.8 t80 -163.87 147.4 9.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.509 ' HB3' HD21 ' A' ' 85' ' ' LEU . 6.3 ptp -139.66 148.77 42.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.67 -169.79 30.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.775 HG11 ' HA ' ' A' ' 94' ' ' VAL . 95.3 t -123.87 142.89 39.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 111.102 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.22 -151.73 0.7 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -62.81 -43.47 98.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.03 128.66 45.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.775 ' HA ' HG11 ' A' ' 90' ' ' VAL . 25.7 m -53.56 -27.43 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 2.1 m80 -60.22 -31.66 70.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.581 ' O ' HG13 ' A' ' 90' ' ' VAL . 65.1 p -78.15 154.87 30.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -152.07 114.87 4.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.907 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -126.83 146.5 50.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.086 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 111' ' ' HIS . 22.0 p90 -140.53 140.17 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.4 mt -97.59 121.19 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.9 ptm -121.89 158.33 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.38 118.41 29.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.3 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -179.887 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.6 mtp-105 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 7.8 m-85 -95.09 147.85 22.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -105.45 153.86 21.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.463 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 50.6 t -129.14 113.39 15.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 97.3 m-70 -93.33 127.01 38.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.552 HG22 ' HB2' ' A' ' 98' ' ' ALA . 19.5 t -108.98 139.3 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 23.0 m-85 -141.95 130.77 22.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -81.29 122.76 27.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 74.5 m -93.03 168.68 10.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.463 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 26.2 mt-10 -153.66 124.66 3.55 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.583 0.706 . . . . 0.0 110.878 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.597 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 54.1 Cg_endo -69.76 -50.82 0.17 OUTLIER 'Cis proline' 0 C--N 1.34 0.13 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.34 0.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.39 179.12 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.409 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -96.17 42.7 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.076 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -82.55 -55.81 4.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -60.22 -57.39 13.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 95.7 t -51.08 -56.03 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.428 ' HA ' HG12 ' A' ' 126' ' ' VAL . 73.7 m -59.73 -42.86 94.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.77 -33.86 68.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.76 -58.95 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.497 HG22 ' HE1' ' A' ' 88' ' ' MET . 6.3 p -54.44 -37.3 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -58.15 -47.08 84.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.02 83.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.061 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.481 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -44.17 -33.5 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.442 ' SG ' ' CE ' ' A' ' 88' ' ' MET . 55.8 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.858 0.361 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.409 HD21 ' C ' ' A' ' 119' ' ' ALA . 18.5 mt -55.24 -50.34 69.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 168' ' ' GLN . 72.6 p -57.83 -48.61 79.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -48.19 -44.46 32.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 4.2 mtp -53.93 -55.19 29.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 165' ' ' SER . 2.8 pt20 -66.07 -27.89 68.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -68.54 -63.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -116.19 -36.18 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 86.49 -167.57 39.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 172' ' ' TYR . . . . . 0.476 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 64.4 t80 -131.15 134.11 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.948 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -112.62 118.08 34.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 10.6 t-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.521 HG23 ' N ' ' A' ' 61' ' ' ALA . 9.1 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.788 0.327 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -102.61 144.86 30.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.08 146.73 36.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -134.93 130.45 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -69.78 110.48 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.5 m -142.28 -177.9 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -130.18 146.64 51.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -96.53 124.51 40.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.595 HD21 ' HE2' ' A' ' 45' ' ' MET . 6.3 mp -90.49 -41.51 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.54 -178.99 28.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.489 ' CG ' ' OE2' ' A' ' 109' ' ' GLU . 9.1 tmm? -107.04 138.96 42.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.549 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.6 OUTLIER -143.68 115.68 5.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.921 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.549 ' N ' HD13 ' A' ' 26' ' ' LEU . 53.9 Cg_endo -69.74 144.12 53.11 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.415 HG13 ' HB2' ' A' ' 110' ' ' CYS . 33.2 m -118.15 159.59 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -90.31 -39.4 12.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -118.64 144.82 36.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HA ' HG21 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.73 -36.0 11.7 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.752 2.301 . . . . 0.0 112.303 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.497 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.9 m -117.38 149.66 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.28 103.98 1.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.448 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 mmt -52.1 -30.66 27.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.01 -26.25 68.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 m -93.81 -45.94 7.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.718 HD12 ' CD1' ' A' ' 100' ' ' ILE . 8.7 tt -56.06 -46.03 79.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -71.87 -42.93 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.4 t -54.65 -17.79 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.803 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.9 -39.18 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.469 ' HA ' HG21 ' A' ' 112' ' ' VAL . 79.2 mt -53.52 -60.13 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 44' ' ' LEU . 16.3 mm-40 -55.89 -54.18 47.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' GLU . 76.7 m-20 -34.75 -34.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' GLU . 39.8 mt -89.98 -44.86 9.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.595 ' HE2' HD21 ' A' ' 23' ' ' LEU . 3.0 mtt -54.44 -47.64 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 42' ' ' GLU . 5.2 t -54.24 -36.8 63.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.0 p -81.12 -63.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -95.15 139.36 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.578 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 5.9 m -93.65 176.88 6.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.5 tttt -52.72 -46.39 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.73 -37.47 79.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -57.31 -28.58 63.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 49' ' ' SER . 3.1 m0 -77.59 112.66 25.72 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 53' ' ' TRP . 54.4 Cg_endo -69.73 141.29 44.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.1 m -69.31 126.38 29.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.496 HG11 ' CD1' ' A' ' 77' ' ' LEU . 34.9 m -136.3 169.04 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.59 117.67 32.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.444 ' HG2' HG23 ' A' ' 60' ' ' VAL . 43.5 ttm -86.1 107.58 17.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -92.99 103.48 15.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.733 HG13 HG22 ' A' ' 65' ' ' VAL . 96.7 t -102.09 98.84 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.101 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.521 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -71.01 -177.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.414 ' CG ' ' N ' ' A' ' 63' ' ' ALA . 8.6 p-10 -53.2 -53.01 56.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.414 ' N ' ' CG ' ' A' ' 62' ' ' ASP . . . -130.76 39.77 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.56 HG23 ' HG3' ' A' ' 81' ' ' ARG . 5.6 m -160.01 147.81 16.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.733 HG22 HG13 ' A' ' 60' ' ' VAL . 88.7 t -127.49 100.33 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -107.1 146.47 31.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.9 t -111.41 113.66 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.56 HG21 ' HA ' ' A' ' 73' ' ' GLU . 72.9 mt -107.13 143.03 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 t -85.25 133.95 34.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -53.5 -33.44 54.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -54.19 -43.35 70.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.451 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 3.1 m-80 -153.67 147.88 25.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.56 ' HA ' HG21 ' A' ' 68' ' ' ILE . 28.2 tt0 -74.24 -28.77 61.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -83.35 3.28 32.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -97.54 83.16 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.595 ' O ' HG13 ' A' ' 76' ' ' VAL . 11.2 p -86.1 110.55 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.496 ' CD1' HG11 ' A' ' 56' ' ' VAL . 12.9 mt -73.52 -47.23 42.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.6 HG11 ' CE1' ' A' ' 111' ' ' HIS . 90.5 t -142.51 139.55 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -121.73 99.68 6.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.6 t -109.79 147.63 32.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.56 ' HG3' HG23 ' A' ' 64' ' ' THR . 24.5 ttt180 -127.3 136.37 51.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.444 HG11 ' HA ' ' A' ' 130' ' ' CYS . 69.6 t -37.85 -51.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -54.81 -40.54 69.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ARG . 12.7 m-85 -72.54 -24.15 61.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.462 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 2.3 tt -69.6 107.39 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 71.5 p -77.32 -49.01 15.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.497 ' HB2' HG12 ' A' ' 32' ' ' VAL . 80.5 t80 -158.16 133.88 9.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.54 ' HE3' HG22 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -111.94 170.28 8.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.52 175.54 44.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 96' ' ' THR . 55.3 t -126.52 151.88 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 111.117 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.413 ' O ' HG12 ' A' ' 90' ' ' VAL . . . -80.55 -172.59 45.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -50.25 -44.21 53.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -90.13 126.29 35.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.1 m -59.87 -14.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 21.6 m80 -70.8 -33.88 71.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.478 ' O ' HG13 ' A' ' 90' ' ' VAL . 41.7 p -80.17 155.63 27.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.42 ' CD2' HG11 ' A' ' 122' ' ' VAL . 34.2 t80 -155.05 116.37 4.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.403 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -129.27 158.39 39.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -151.67 142.93 23.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.718 ' CD1' HD12 ' A' ' 37' ' ' LEU . 5.1 mp -97.08 120.79 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.8 ptm -115.8 170.4 8.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -112.62 108.3 17.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.209 -179.91 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.834 0.349 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -120.79 135.32 55.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.645 ' OE2' ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -109.94 138.31 46.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.415 ' HB2' HG13 ' A' ' 28' ' ' VAL . 19.8 t -108.6 128.92 55.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.645 ' CE1' ' OE2' ' A' ' 109' ' ' GLU . 54.9 m80 -108.8 143.34 38.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.544 HG12 HD13 ' A' ' 23' ' ' LEU . 41.4 t -124.26 128.41 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 53.2 m-85 -135.46 132.55 37.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -85.77 137.69 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.554 ' SG ' HG21 ' A' ' 122' ' ' VAL . 83.7 m -122.99 147.79 46.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.514 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.6 pp20? -138.42 132.16 16.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.659 0.743 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.8 Cg_endo -69.75 -47.41 0.31 Allowed 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.344 0.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.5 ' OD1' ' HB2' ' A' ' 120' ' ' ALA . 1.3 p30 -124.55 -178.28 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.458 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -105.96 50.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.5 ' HB2' ' OD1' ' A' ' 118' ' ' ASN . . . -73.86 -58.01 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -64.09 -37.8 88.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.554 HG21 ' SG ' ' A' ' 115' ' ' CYS . 58.0 t -61.92 -64.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.6 m -55.46 -43.14 75.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -60.31 -39.95 88.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.59 -54.73 17.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.54 HG22 ' HE3' ' A' ' 88' ' ' MET . 7.6 p -60.11 -39.66 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -63.93 -55.16 24.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.05 98.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -42.83 -29.95 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.444 ' HA ' HG11 ' A' ' 82' ' ' VAL . 74.8 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 166' ' ' LYS . 1.5 t-80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.832 0.348 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.458 HD21 ' C ' ' A' ' 119' ' ' ALA . 8.8 mt -40.14 -47.32 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 66.4 p -57.1 -38.43 73.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 163' ' ' HIS . 0.8 OUTLIER -53.6 -51.32 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 73.8 mmm -49.37 -59.15 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.84 -28.84 69.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -62.22 -68.83 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -122.43 -32.94 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 89.78 173.17 45.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -108.81 123.25 48.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.83 111.78 23.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 85' ' ' LEU . 38.1 t30 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.619 0.723 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.758 0.313 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -115.12 126.37 54.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -102.44 138.72 38.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -129.05 142.94 50.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.91 115.79 12.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 115' ' ' CYS . 14.9 m -140.9 -175.24 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -129.83 159.86 35.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -104.31 114.91 29.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.509 HD13 HG12 ' A' ' 112' ' ' VAL . 5.1 mp -92.67 -34.39 13.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 140.26 -176.82 21.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.1 ttp -122.71 136.34 54.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.707 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -129.7 116.96 18.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.942 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.407 ' HD2' HD13 ' A' ' 26' ' ' LEU . 54.2 Cg_endo -69.74 138.39 37.77 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.65 2.234 . . . . 0.0 112.367 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.0 m -137.43 171.17 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -113.63 -36.76 4.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -73.07 116.44 50.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -17.38 37.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 0.0 112.378 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.533 HG12 ' HB2' ' A' ' 87' ' ' PHE . 32.2 m -146.73 171.76 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.89 110.64 3.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.8 mmt -57.21 -29.75 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -61.7 -30.78 70.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.407 HG21 ' HB3' ' A' ' 30' ' ' ARG . 53.4 m -87.3 -51.09 6.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.673 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.8 tt -48.06 -50.68 27.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -63.27 -42.94 99.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -49.45 -23.35 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.707 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -89.35 -30.48 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.91 -63.0 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -50.39 -42.46 53.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -46.03 -43.56 14.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.501 HD22 ' HA3' ' A' ' 24' ' ' GLY . 8.8 mt -82.48 -56.47 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.444 ' HG2' ' CD2' ' A' ' 23' ' ' LEU . 15.9 mtp -38.64 -33.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 77.3 p -81.91 -41.2 21.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.116 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' LEU . 45.3 m -42.86 -60.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -120.49 -176.46 3.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.435 ' O ' ' NE1' ' A' ' 53' ' ' TRP . 23.5 m -95.65 172.39 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.578 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 17.6 tptp -66.9 -38.98 87.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -71.32 -30.44 66.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -63.97 -22.52 66.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.578 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 8.7 m0 -78.77 124.99 84.93 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.586 0.707 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 169.76 18.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.2 p -109.47 111.31 22.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 m -122.34 167.63 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -105.02 120.86 42.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.1 tpp -85.01 111.21 19.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -92.68 108.97 20.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.4 HG11 ' CA ' ' A' ' 126' ' ' VAL . 52.8 t -107.0 99.32 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.22 175.66 7.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.925 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 74.5 m-20 -42.43 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 82' ' ' VAL . . . -116.41 41.71 2.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.806 HG23 ' HG3' ' A' ' 81' ' ' ARG . 5.3 m -162.23 136.43 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.1 t -124.77 102.45 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.8 m -102.42 150.7 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.7 t -112.73 107.52 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.495 HG21 ' HA ' ' A' ' 73' ' ' GLU . 53.7 mt -104.39 145.46 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.477 ' CB ' ' HG2' ' A' ' 75' ' ' GLU . 0.9 OUTLIER -81.55 160.66 23.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -83.95 28.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -120.2 -41.89 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -149.8 142.75 24.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.495 ' HA ' HG21 ' A' ' 68' ' ' ILE . 7.1 tp10 -66.84 -31.48 72.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.495 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 3.2 pm0 -83.51 0.93 44.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 69' ' ' SER . 5.0 tp10 -87.19 81.94 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 76' ' ' VAL . 13.2 p -89.3 121.48 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.88 -40.77 8.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 91.5 t -142.08 124.74 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -112.81 98.47 7.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.4 t -105.34 147.82 27.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.806 ' HG3' HG23 ' A' ' 64' ' ' THR . 1.3 mpt_? -128.67 136.08 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.434 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 6.9 m -49.11 -43.8 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -46.88 -26.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -98.05 -35.91 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.7 tt -45.14 114.27 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.2 p -89.67 -43.68 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.533 ' HB2' HG12 ' A' ' 32' ' ' VAL . 54.0 t80 -157.72 141.32 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.483 ' HB3' HD21 ' A' ' 85' ' ' LEU . 16.0 ptp -130.09 153.38 48.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.27 172.89 45.76 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.818 HG13 ' O ' ' A' ' 96' ' ' THR . 73.3 t -107.65 144.65 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 111.165 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.48 -161.42 3.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -57.33 -35.37 69.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -101.44 129.68 47.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.639 ' HA ' HG11 ' A' ' 90' ' ' VAL . 3.0 m -57.63 -32.75 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -58.74 -27.83 65.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.818 ' O ' HG13 ' A' ' 90' ' ' VAL . 64.0 p -87.14 156.28 19.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -157.13 113.88 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.673 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -121.64 148.03 45.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -136.58 141.2 43.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.1 mt -98.51 122.8 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.7 ptm -116.23 155.66 27.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.59 112.73 25.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.817 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.9 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 -179.909 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.891 0.377 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -115.55 140.33 49.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -108.18 131.0 55.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.5 t -109.72 113.97 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 113' ' ' PHE . 96.8 m-70 -94.72 152.34 18.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.509 HG12 HD13 ' A' ' 23' ' ' LEU . 29.9 t -127.3 137.02 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 46.5 m-85 -146.19 126.14 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -80.47 119.8 23.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.609 ' SG ' HG21 ' A' ' 122' ' ' VAL . 82.9 m -91.13 161.49 15.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.502 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 6.4 mm-40 -144.85 129.43 9.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.692 0.758 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.7 Cg_endo -69.77 -48.57 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.361 -0.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -125.44 -177.64 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.427 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -98.01 43.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.681 ' N ' HD21 ' A' ' 164' ' ' LEU . . . -82.33 -48.95 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -80.07 -39.21 30.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.609 HG21 ' SG ' ' A' ' 115' ' ' CYS . 71.1 t -56.1 -64.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.43 ' HA ' HG12 ' A' ' 126' ' ' VAL . 19.5 m -59.77 -37.03 77.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -62.23 -39.37 92.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.11 -60.63 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 122' ' ' VAL . 8.4 p -53.53 -38.54 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.82 -55.83 29.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.98 -44.33 89.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.925 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -40.33 -49.71 2.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 129' ' ' ALA . 95.8 m . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.681 HD21 ' N ' ' A' ' 120' ' ' ALA . 13.9 mt -48.2 -32.64 7.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 9.8 p -72.3 -52.03 18.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -46.44 -37.71 8.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 2.6 mmt -60.97 -45.6 94.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -77.27 -26.65 52.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -65.46 -74.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -111.61 -39.48 4.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 95.05 -148.5 19.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' TYR . . . . . 0.4 ' HB3' ' CG ' ' A' ' 88' ' ' MET . 48.9 t80 -143.13 118.56 10.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -100.48 110.88 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 37.9 t-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.53 HG23 ' HB2' ' A' ' 61' ' ' ALA . 9.2 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.737 0.303 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -96.61 144.72 26.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.12 149.9 36.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -134.93 140.11 45.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -82.78 104.41 13.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 115' ' ' CYS . 22.0 m -139.56 -176.75 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -119.21 164.99 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.433 ' CD1' ' CE2' ' A' ' 113' ' ' PHE . 10.4 t80 -115.58 108.35 16.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.525 HD23 ' HG2' ' A' ' 45' ' ' MET . 6.3 mp -74.74 -44.0 52.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.419 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 148.81 176.03 21.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' A' ' 26' ' ' LEU . 12.2 tmm? -102.67 145.04 30.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.522 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -144.35 117.96 5.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 110.911 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.8 48.84 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.713 2.275 . . . . 0.0 112.332 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.6 m -126.86 150.98 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -105.59 15.65 26.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -137.49 133.32 18.02 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.561 0.696 . . . . 0.0 110.895 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -32.91 17.52 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.715 HG12 ' HB2' ' A' ' 87' ' ' PHE . 32.7 m -140.35 173.92 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.46 107.63 2.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.0 mmm -55.15 -38.62 68.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -49.74 -38.62 34.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 98.0 m -79.32 -44.19 22.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.201 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.86 -48.24 70.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -64.88 -40.4 95.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -58.44 -23.11 56.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -86.78 -28.35 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.406 HD13 ' HA3' ' A' ' 91' ' ' GLY . 81.6 mt -67.73 -59.22 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -53.91 -46.8 71.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -40.5 -44.19 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.419 HD22 ' HA3' ' A' ' 24' ' ' GLY . 10.9 mt -80.28 -56.16 4.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.525 ' HG2' HD23 ' A' ' 23' ' ' LEU . 4.2 mtt -39.07 -36.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -72.75 -51.14 20.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 m -55.73 -58.51 7.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.5 m -106.85 152.61 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.444 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 25.2 m -93.86 176.05 6.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 20.5 tptp -59.69 -48.85 80.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -70.27 -21.33 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -71.44 -25.36 62.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.535 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 5.2 m0 -77.7 116.27 56.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.565 0.697 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 140.03 41.66 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.64 2.226 . . . . 0.0 112.358 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 m -72.87 127.76 33.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.431 HG11 ' CD1' ' A' ' 77' ' ' LEU . 17.4 m -135.4 169.05 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -106.42 118.36 36.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.1 ttm -87.61 103.83 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.649 ' CG ' HD12 ' A' ' 68' ' ' ILE . 8.6 m120 -92.01 103.86 16.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.532 HG13 HG22 ' A' ' 65' ' ' VAL . 98.7 t -106.03 100.53 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.626 ' HB3' ' HB ' ' A' ' 64' ' ' THR . . . -78.52 171.7 14.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ALA . 8.3 m-20 -35.31 -65.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -124.35 39.54 3.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.064 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 61' ' ' ALA . 19.5 m -150.82 148.11 28.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.532 HG22 HG13 ' A' ' 60' ' ' VAL . 95.0 t -132.58 100.5 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.6 m -112.02 134.55 53.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.598 HG12 HD12 ' A' ' 77' ' ' LEU . 94.0 t -99.01 114.82 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.649 HD12 ' CG ' ' A' ' 59' ' ' ASN . 75.3 mt -104.66 149.85 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.7 t -87.93 157.73 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.99 -39.24 61.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -51.78 -59.32 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -124.14 147.54 47.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -82.6 -26.91 31.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -85.15 10.04 13.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -92.37 111.94 23.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 76' ' ' VAL . 22.9 t -95.84 90.62 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.598 HD12 HG12 ' A' ' 67' ' ' VAL . 62.7 mt -57.41 -50.0 74.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.2 t -148.14 136.44 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -112.94 96.23 5.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.409 ' SG ' ' CB ' ' A' ' 101' ' ' MET . 32.9 t -113.25 142.18 46.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 82' ' ' VAL . 40.1 mtt180 -123.37 130.07 52.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.465 HG11 ' HA ' ' A' ' 130' ' ' CYS . 92.8 t -34.48 -58.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.435 ' NH2' ' CZ ' ' A' ' 84' ' ' PHE . 9.2 ptt85 -40.42 -43.86 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.435 ' CZ ' ' NH2' ' A' ' 83' ' ' ARG . 12.3 m-85 -70.95 -39.93 72.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tt -41.19 121.4 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 p -96.37 -53.35 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.715 ' HB2' HG12 ' A' ' 32' ' ' VAL . 89.7 t80 -153.63 135.17 14.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.8 ptp -125.46 163.06 23.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.9 -165.93 32.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.671 HG11 ' HA ' ' A' ' 94' ' ' VAL . 79.0 t -130.8 140.44 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.933 0.397 . . . . 0.0 111.087 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.406 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . -69.83 -170.79 8.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.472 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -49.69 -37.89 30.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.13 129.0 49.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.671 ' HA ' HG11 ' A' ' 90' ' ' VAL . 3.0 m -56.65 -35.73 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -51.37 -27.23 9.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.2 p -85.53 159.79 19.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -158.18 116.35 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.663 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -129.0 151.59 49.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -141.33 141.42 33.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.2 mt -97.66 122.16 48.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.409 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER -119.44 158.97 25.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.35 110.22 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.853 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 43.2 mtt85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.87 0.366 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -108.63 139.64 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -111.75 133.87 53.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 17.4 t -108.62 113.45 26.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -99.59 133.43 43.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.663 HG22 ' HB2' ' A' ' 98' ' ' ALA . 17.6 t -116.49 141.84 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.433 ' CE2' ' CD1' ' A' ' 22' ' ' TYR . 43.4 m-85 -143.99 140.59 29.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.524 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 45.9 t-105 -86.13 117.9 25.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.47 ' HA ' HG12 ' A' ' 20' ' ' VAL . 80.7 m -89.87 157.81 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.4 mm-40 -143.16 127.93 9.76 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.655 0.74 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.8 Cg_endo -69.74 -49.37 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.328 0.044 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.06 -176.45 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.416 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -101.11 46.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.08 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.65 -43.18 12.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -79.65 -52.59 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 94.8 t -51.42 -59.57 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.8 t -57.62 -42.14 82.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -62.88 -35.35 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.03 -49.57 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 127' ' ' GLN . 10.2 p -68.33 -39.6 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.403 ' N ' HG13 ' A' ' 126' ' ' VAL . 39.5 tt0 -57.48 -53.92 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.64 97.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.59 -41.95 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.465 ' HA ' HG11 ' A' ' 82' ' ' VAL . 79.6 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 10.1 t60 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.758 0.313 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.427 HD22 ' HB ' ' A' ' 94' ' ' VAL . 26.2 mt -39.18 -36.78 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 54.5 m -69.18 -48.35 62.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -40.29 -42.27 1.5 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 46.2 mmm -65.47 -50.89 63.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.418 ' OE1' HG12 ' A' ' 94' ' ' VAL . 37.6 mt-30 -66.47 -17.46 64.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -83.71 -73.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -104.56 -45.61 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 100.46 -148.67 18.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -145.49 130.66 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -115.12 112.13 22.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 13.1 t-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.587 0.708 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 61' ' ' ALA . 9.5 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.783 0.325 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -107.79 124.84 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -98.78 135.91 39.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -118.71 135.91 54.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -77.26 107.59 9.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.1 m -139.48 178.37 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -113.42 156.27 23.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -110.33 109.25 19.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.977 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.643 HD13 HG12 ' A' ' 112' ' ' VAL . 6.3 mp -76.62 -49.36 16.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.604 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 161.46 -171.53 37.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.8 ttp -119.17 128.85 54.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.82 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -139.21 117.5 8.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.928 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.495 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.7 Cg_endo -69.82 160.18 50.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 m -121.85 -177.62 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -116.96 -37.61 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -109.82 143.58 28.19 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.629 0.728 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -32.22 18.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.5 m -129.87 145.59 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.44 118.92 2.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.7 mmt -64.97 -40.38 94.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -51.93 -22.21 3.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -97.91 -43.18 7.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.499 HD21 ' HB3' ' A' ' 98' ' ' ALA . 10.3 tt -58.88 -45.91 89.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -66.19 -37.64 86.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -53.49 -24.27 12.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.82 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -86.43 -35.71 19.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.503 ' HA ' HG21 ' A' ' 112' ' ' VAL . 51.1 mt -59.99 -62.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.674 ' O ' HG22 ' A' ' 46' ' ' THR . 3.3 mm-40 -49.77 -51.39 39.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -39.66 -38.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.604 HD22 ' HA3' ' A' ' 24' ' ' GLY . 9.4 mt -86.71 -47.5 9.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.57 ' HE1' ' HZ3' ' A' ' 114' ' ' TRP . 3.8 mtp -48.52 -47.51 38.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 42' ' ' GLU . 5.7 t -73.69 -29.64 62.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -59.02 -54.85 42.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.1 m -119.6 176.85 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 t -91.83 163.45 14.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.529 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 29.0 tttt -64.65 -18.56 65.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -89.73 -32.87 16.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.1 -31.41 68.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.529 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 2.8 m0 -67.67 111.77 8.48 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.524 0.678 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.12 66.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 79.6 p -86.37 118.3 25.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.0 m -124.89 169.73 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 69' ' ' SER . 3.9 m-20 -98.34 126.38 43.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.481 ' HE2' ' CD1' ' A' ' 113' ' ' PHE . 54.3 ttm -97.32 98.2 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -82.38 107.96 15.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.573 HG13 HG22 ' A' ' 65' ' ' VAL . 84.5 t -107.41 98.43 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.47 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -75.38 -178.31 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -49.28 -59.01 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.81 40.14 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 61' ' ' ALA . 22.9 m -158.74 149.04 19.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.573 HG22 HG13 ' A' ' 60' ' ' VAL . 99.5 t -130.81 102.44 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.8 m -104.91 149.15 25.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.672 HG12 HD12 ' A' ' 77' ' ' LEU . 85.0 t -111.36 113.61 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.7 mt -114.1 150.32 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.492 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 7.9 t -56.37 173.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -76.1 -42.36 47.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 72' ' ' ASN . 12.6 ptmm? -99.16 -52.79 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.403 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 4.1 m120 -63.55 144.34 57.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -104.89 -33.88 8.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -89.08 -12.25 41.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -73.56 92.33 1.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' ' 76' ' ' VAL . 9.4 p -91.8 118.55 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.672 HD12 HG12 ' A' ' 67' ' ' VAL . 16.2 mt -84.67 -46.85 11.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.9 t -144.02 139.15 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -120.2 94.31 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.6 t -104.75 144.49 31.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -122.0 130.93 53.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.452 HG21 ' HB1' ' A' ' 129' ' ' ALA . 77.4 t -42.73 -56.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -38.85 -52.88 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -65.82 -33.62 76.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.748 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.3 tt -41.69 120.21 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.4 t -94.04 -50.74 5.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -150.16 128.73 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.748 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.0 ptp -122.85 139.13 54.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.79 -165.5 23.24 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 96' ' ' THR . 55.1 t -129.01 145.29 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.177 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.52 -165.9 5.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.428 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -46.4 55.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.03 124.01 37.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.778 ' HA ' HG11 ' A' ' 90' ' ' VAL . 18.5 m -52.55 -22.4 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -64.82 -33.09 75.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.835 ' O ' HG13 ' A' ' 90' ' ' VAL . 65.8 p -80.19 150.27 30.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -145.14 115.89 7.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.499 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -130.96 142.25 50.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -135.21 146.33 48.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -96.24 117.98 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.598 ' HE2' HG22 ' A' ' 103' ' ' THR . 25.9 ptm -117.99 145.34 44.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.65 113.56 26.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.598 HG22 ' HE2' ' A' ' 101' ' ' MET . 51.7 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.7 mtt-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.874 0.368 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -88.32 151.29 22.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -105.56 133.31 50.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 28.9 t -113.45 110.62 20.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 93.0 m-70 -93.01 135.3 34.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.643 HG12 HD13 ' A' ' 23' ' ' LEU . 40.7 t -113.18 138.21 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.481 ' CD1' ' HE2' ' A' ' 58' ' ' MET . 31.4 m-85 -144.09 127.74 17.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.57 ' HZ3' ' HE1' ' A' ' 45' ' ' MET . 45.0 t-105 -77.49 130.55 37.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 79.0 m -105.58 144.93 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.486 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 11.7 mp0 -129.88 127.99 22.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.695 0.76 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.7 Cg_endo -69.79 -50.28 0.19 OUTLIER 'Cis proline' 0 C--N 1.342 0.234 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.343 -0.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -116.64 -176.36 2.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.477 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -104.94 36.47 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.81 ' HB2' HD11 ' A' ' 164' ' ' LEU . . . -75.91 -49.42 17.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -63.73 -52.84 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.8 t -53.41 -52.26 33.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -60.39 -41.87 94.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -63.21 -41.67 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.22 -51.13 69.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.524 HG22 ' SD ' ' A' ' 88' ' ' MET . 7.7 p -61.49 -42.07 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.412 ' N ' HG13 ' A' ' 126' ' ' VAL . 14.7 tt0 -55.74 -41.46 73.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.14 71.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.452 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -42.81 -45.24 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.41 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 7.6 p . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 166' ' ' LYS . 2.3 t-80 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.81 HD11 ' HB2' ' A' ' 120' ' ' ALA . 8.0 mt -36.83 -53.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 5.3 m -55.18 -37.91 67.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 163' ' ' HIS . 5.8 mmtp -57.48 -32.58 67.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.408 ' O ' ' CA ' ' A' ' 171' ' ' GLY . 81.1 mmm -72.05 -57.87 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.599 ' OE1' HG12 ' A' ' 94' ' ' VAL . 7.9 pt20 -63.43 -28.58 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -69.4 -74.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -103.12 -32.03 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 167' ' ' MET . . . 74.58 -172.61 52.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -135.85 125.54 25.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 173' ' ' GLU . . . . . 0.458 ' CD ' ' O ' ' A' ' 173' ' ' GLU . 2.4 pp20? -110.84 109.17 19.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 173' ' ' GLU . 9.5 t-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.647 0.737 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -164.33 134.38 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.385 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 p -70.67 174.81 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.34 131.62 1.39 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 m -129.57 147.95 51.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.6 m -119.52 148.19 43.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.87 148.81 19.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -178.8 2.51 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.7 m -105.33 129.09 25.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.611 0.72 . . . . 0.0 111.122 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.97 20.27 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -107.74 108.27 19.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.9 p -106.32 114.22 28.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -144.85 152.25 40.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -49.73 95.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.544 HG23 ' CA ' ' A' ' 61' ' ' ALA . 14.4 p -127.44 144.13 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -102.26 140.05 37.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.76 139.92 44.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -123.66 131.08 53.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -74.72 113.1 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.3 m -149.81 171.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -103.42 168.49 9.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -118.14 107.29 13.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 5.8 mp -76.68 -47.42 22.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.04 -161.69 30.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.522 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 32.8 ttp -132.35 131.23 41.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.868 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -130.95 120.63 18.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.89 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.513 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.4 Cg_endo -69.77 144.52 54.27 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.294 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 m -120.69 155.45 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -88.72 -38.33 14.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 -110.69 144.27 29.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -27.63 26.15 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.299 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 87' ' ' PHE . 32.9 m -128.02 166.08 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.13 106.32 2.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.8 mmt -58.14 -24.84 60.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -74.14 -22.6 59.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 98.8 m -90.61 -46.63 8.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.491 ' C ' HD23 ' A' ' 37' ' ' LEU . 8.0 tt -59.28 -50.0 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.14 -24.99 65.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.481 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 31.2 t -71.89 -18.42 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.868 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -93.15 -26.04 17.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.539 HG23 HG11 ' A' ' 112' ' ' VAL . 22.2 mt -65.0 -60.3 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.528 ' O ' HG23 ' A' ' 46' ' ' THR . 7.8 mm-40 -53.87 -41.09 67.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 39' ' ' SER . 93.0 m-20 -49.89 -46.32 51.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.4 mt -74.7 -42.05 59.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.405 ' HE2' HD21 ' A' ' 23' ' ' LEU . 3.5 mtt -55.54 -38.56 69.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 42' ' ' GLU . 74.2 p -63.94 -49.98 70.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 t -55.69 -68.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 p -101.48 146.63 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.419 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.1 m -87.46 -177.96 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.515 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 37.3 tttm -60.67 -48.27 82.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.34 -19.71 60.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -72.29 -25.53 61.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.515 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 5.6 m0 -78.33 120.43 81.07 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.51 0.672 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 149.16 66.26 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.691 2.261 . . . . 0.0 112.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -81.28 123.43 28.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.612 HG11 ' CD1' ' A' ' 77' ' ' LEU . 11.3 m -135.74 155.66 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -96.13 122.8 39.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 49.2 ttm -89.76 102.77 15.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.59 ' OD1' HD12 ' A' ' 68' ' ' ILE . 11.1 m120 -88.9 113.08 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.796 HG13 HG22 ' A' ' 65' ' ' VAL . 60.5 t -111.94 103.28 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.544 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -80.96 179.82 7.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -40.71 -70.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.56 40.53 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.461 HG23 ' CG ' ' A' ' 81' ' ' ARG . 4.6 m -154.83 151.46 28.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.796 HG22 HG13 ' A' ' 60' ' ' VAL . 71.6 t -134.03 101.08 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.105 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -102.38 139.18 38.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' A' ' 77' ' ' LEU . 95.8 t -103.39 113.29 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.59 HD12 ' OD1' ' A' ' 59' ' ' ASN . 64.4 mt -112.04 143.64 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 t -79.94 169.54 17.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -86.5 -39.53 16.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 ptpt -58.37 -27.42 64.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -150.1 156.43 41.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -95.82 -33.99 12.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 74' ' ' GLU . 1.4 pm0 -77.28 -6.04 51.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 76' ' ' VAL . 4.9 tp10 -78.84 110.98 14.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.498 ' N ' ' OE1' ' A' ' 75' ' ' GLU . 49.1 t -100.62 97.7 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.612 ' CD1' HG11 ' A' ' 56' ' ' VAL . 72.8 mt -66.0 -42.79 89.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 86.5 t -154.73 131.29 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -108.0 98.7 8.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 36.9 t -108.12 146.29 32.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.461 ' CG ' HG23 ' A' ' 64' ' ' THR . 18.9 mtp85 -123.67 131.53 53.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.1 t -49.81 -35.04 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -61.54 -38.48 87.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -79.25 -30.79 43.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.713 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.7 tt -47.54 112.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.2 p -88.35 -45.47 9.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.458 ' HB2' HG12 ' A' ' 32' ' ' VAL . 47.7 t80 -152.04 143.66 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.713 ' HB3' HD21 ' A' ' 85' ' ' LEU . 4.5 ptp -138.93 140.51 38.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.52 176.88 34.56 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 91' ' ' GLY . 25.0 t -114.86 141.13 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 111.109 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.445 ' O ' HG12 ' A' ' 90' ' ' VAL . . . -66.65 167.14 38.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' GLY . 29.3 tptt -37.49 -30.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 91' ' ' GLY . 3.6 m-20 -98.76 150.15 22.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.7 m -86.48 4.66 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.409 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 5.6 m80 -102.61 7.48 39.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.441 ' O ' HG13 ' A' ' 90' ' ' VAL . 33.8 p -125.84 148.06 49.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.496 ' CZ ' HG11 ' A' ' 126' ' ' VAL . 31.8 t80 -140.02 121.45 15.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.544 ' HB2' HG13 ' A' ' 112' ' ' VAL . . . -131.59 136.9 48.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.084 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.463 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 6.6 p90 -134.6 141.94 46.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.4 mt -100.68 119.94 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.2 ptm -112.43 162.67 15.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -92.95 118.8 31.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 77.0 p -112.11 35.67 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 159.44 -126.82 1.71 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -98.94 -64.31 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.416 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 4.9 tt0 -112.86 -36.69 5.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -63.88 118.05 7.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 5.0 m-85 -119.81 145.14 46.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -107.37 152.21 24.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.1 t -128.83 108.93 10.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 71.5 m-70 -95.12 147.95 22.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.544 HG13 ' HB2' ' A' ' 98' ' ' ALA . 2.3 t -123.01 147.0 27.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -145.22 130.01 18.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 45.9 t-105 -79.84 123.75 28.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 60.7 m -103.25 137.67 41.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 10.8 mm-40 -125.94 129.78 24.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.2 Cg_endo -69.79 -46.14 0.38 Allowed 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.331 0.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.66 -175.82 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.57 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -102.9 47.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.598 ' N ' HD21 ' A' ' 164' ' ' LEU . . . -83.53 -47.28 11.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -77.38 -32.16 54.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 50.5 t -71.84 -67.55 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.6 p -52.87 -19.02 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -80.44 -35.24 35.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.4 -49.71 21.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.4 p -59.22 -48.39 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.531 ' HA ' ' HE3' ' A' ' 88' ' ' MET . 6.5 pt20 -62.6 -42.73 99.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . -71.87 -24.68 61.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.14 -32.96 71.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.065 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 81.4 m -61.4 -41.83 97.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 t -76.98 -47.69 20.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 142.76 -97.88 0.21 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 141.32 45.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.721 2.281 . . . . 0.0 112.383 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.1 t -120.43 146.48 46.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 63.0 m -77.38 -53.13 8.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.25 -144.51 33.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 75.0 mt -46.03 119.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -76.29 -31.37 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.68 -51.87 3.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -59.91 111.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -114.47 -142.73 8.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 62.4 p -110.79 119.68 39.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 68.6 m -56.63 -61.4 2.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 118.28 -55.8 0.58 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.436 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.7 m -88.76 84.57 6.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.882 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.5 t -70.61 158.46 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -98.82 -74.67 1.16 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 6.4 t -90.31 101.26 13.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.3 m -123.58 121.14 34.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 146.24 48.15 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 89.2 p -166.17 158.91 14.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.816 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 39.8 m -87.15 139.13 30.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 154' ' ' ASP . . . 163.75 -125.04 1.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 153' ' ' GLY . 0.5 OUTLIER -36.03 117.95 0.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -79.18 164.31 24.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -101.71 27.14 6.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 58.5 t -76.81 126.8 37.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 11.5 t -73.71 141.22 78.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.526 0.679 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 3.28 2.85 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.673 2.249 . . . . 0.0 112.37 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 164' ' ' LEU . 32.2 mt-10 -79.61 -45.62 18.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.98 -40.46 62.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -47.89 -36.05 11.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -87.65 -55.99 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.598 HD21 ' N ' ' A' ' 120' ' ' ALA . 11.9 mt -43.25 -30.32 0.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 36.1 m -70.18 -51.94 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -46.94 -46.33 21.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 63.8 mmm -54.86 -46.31 74.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -80.26 6.37 12.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -105.59 -70.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -107.01 -25.96 11.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 74.12 -169.94 53.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.447 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -130.4 111.07 11.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.971 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -96.1 113.06 24.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.42 ' ND2' ' CG2' ' A' ' 176' ' ' THR . 25.1 t30 -53.31 120.85 22.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -50.24 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.42 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 7.7 t -37.91 -36.67 0.21 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -81.94 91.23 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' LYS . . . . . 0.496 ' HD3' ' CZ ' ' A' ' 180' ' ' PHE . 17.1 mmtp -132.89 64.23 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -103.21 -17.0 15.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.496 ' CZ ' ' HD3' ' A' ' 178' ' ' LYS . 10.9 p90 -74.25 176.58 6.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -118.2 61.8 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -104.57 18.31 22.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 53.3 mtp -78.52 116.03 18.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -73.79 136.65 43.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 30.9 t30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.8 m -60.01 140.33 56.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 t -49.94 -48.07 52.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.35 98.7 0.17 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -108.26 40.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -90.94 110.62 21.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.89 71.55 0.9 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 154.67 67.2 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.0 p -91.99 147.76 35.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.559 0.695 . . . . 0.0 111.151 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 87.25 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -108.35 44.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.7 m -120.17 121.56 39.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -78.6 177.11 8.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.461 HD13 ' C ' ' A' ' 14' ' ' LEU . 1.1 tm? -47.42 110.97 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.405 ' N ' HD13 ' A' ' 14' ' ' LEU . 7.7 p -126.58 143.33 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -110.7 131.64 54.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -97.1 144.76 26.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -133.07 125.67 30.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -69.65 118.95 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 115' ' ' CYS . 33.5 m -154.04 -178.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -118.61 164.32 15.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -115.72 108.78 16.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.55 HD23 ' HG2' ' A' ' 45' ' ' MET . 6.3 mp -74.88 -38.81 61.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 145.92 -170.84 27.04 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.412 ' O ' HD21 ' A' ' 44' ' ' LEU . 9.1 tmm? -117.31 141.08 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.756 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.5 OUTLIER -144.91 118.51 5.56 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.587 0.708 . . . . 0.0 110.944 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.39 54.14 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.368 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.7 m -117.81 153.1 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -84.17 -35.21 23.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -112.94 144.79 31.75 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -26.2 27.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.249 . . . . 0.0 112.28 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.875 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.1 m -134.75 173.3 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.11 102.72 2.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.6 mmt -42.44 -54.37 3.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -45.86 -41.54 11.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.1 m -72.21 -41.33 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 98' ' ' ALA . 10.2 tt -62.05 -54.73 37.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -57.85 -32.26 67.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.9 t -58.77 -29.93 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.756 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -81.25 -28.4 34.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.51 HG23 HG11 ' A' ' 112' ' ' VAL . 10.7 mt -68.45 -60.65 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -52.72 -49.15 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -41.64 -39.94 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.412 HD21 ' O ' ' A' ' 25' ' ' MET . 10.5 mt -82.61 -57.47 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.55 ' HG2' HD23 ' A' ' 23' ' ' LEU . 6.0 mtt -41.8 -39.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.5 p -62.9 -52.61 62.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.1 t -62.34 -73.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.8 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.5 m -82.21 156.62 24.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -104.37 174.69 5.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 20.3 tttm -61.2 -20.62 62.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -94.35 -21.23 19.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -75.54 -22.89 56.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 4.1 m0 -77.14 112.71 24.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 53' ' ' TRP . 53.4 Cg_endo -69.79 144.32 53.5 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.3 m -75.87 127.35 32.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.9 m -138.5 166.89 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -105.32 116.9 32.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.496 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 39.7 ttm -82.79 99.82 9.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.528 ' ND2' HD12 ' A' ' 68' ' ' ILE . 7.5 m-80 -81.27 110.03 16.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.568 HG13 HG22 ' A' ' 65' ' ' VAL . 58.9 t -108.47 99.37 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.5 -175.39 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -46.29 -72.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HA ' HG21 ' A' ' 82' ' ' VAL . . . -121.11 32.41 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.54 HG23 ' HG2' ' A' ' 81' ' ' ARG . 5.0 m -151.08 127.2 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.568 HG22 HG13 ' A' ' 60' ' ' VAL . 73.2 t -113.94 107.79 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -109.34 148.83 30.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.429 ' CG1' HD12 ' A' ' 77' ' ' LEU . 17.7 t -111.23 123.32 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.528 HD12 ' ND2' ' A' ' 59' ' ' ASN . 45.3 mt -122.29 149.55 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.7 t -62.61 163.67 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -64.21 -46.66 82.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -89.71 -65.81 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -59.02 133.07 55.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.411 ' O ' HG21 ' A' ' 68' ' ' ILE . 10.7 pt-20 -91.27 -42.32 10.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.62 -29.81 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -51.57 102.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 76' ' ' VAL . 3.0 p -105.66 107.69 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.429 HD12 ' CG1' ' A' ' 67' ' ' VAL . 7.2 mt -79.19 -52.41 8.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.8 t -129.81 146.64 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -134.51 94.86 3.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.424 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 50.2 t -107.27 146.62 31.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.54 ' HG2' HG23 ' A' ' 64' ' ' THR . 54.1 mtt85 -116.83 124.45 49.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' A' ' 130' ' ' CYS . 57.5 t -35.6 -52.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -57.69 -43.18 84.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' ARG . 3.7 m-85 -69.27 -20.52 63.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 88' ' ' MET . 4.6 tt -54.75 110.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 87' ' ' PHE . 13.7 p -73.9 -60.51 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.875 ' HB2' HG12 ' A' ' 32' ' ' VAL . 68.6 t80 -154.09 127.59 8.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.601 ' HB3' HD21 ' A' ' 85' ' ' LEU . 5.4 ptp -110.93 157.25 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.51 172.36 44.88 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 96' ' ' THR . 55.5 t -117.01 138.09 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.404 ' O ' HG12 ' A' ' 90' ' ' VAL . . . -66.56 174.36 23.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -47.8 -21.3 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.99 136.34 48.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.421 ' HB ' HD13 ' A' ' 164' ' ' LEU . 11.1 m -71.92 -11.35 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.415 ' HB3' ' CZ2' ' A' ' 114' ' ' TRP . 18.7 m80 -87.46 17.56 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.512 ' O ' HG13 ' A' ' 90' ' ' VAL . 30.8 p -138.42 147.55 43.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -144.48 117.51 8.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.484 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -127.52 139.0 53.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.424 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 15.8 p90 -132.81 142.72 49.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.7 mt -99.84 114.47 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.438 ' SD ' ' C ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -107.07 167.48 9.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 102' ' ' ASP . 0.3 OUTLIER -106.31 115.87 30.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.7 p -81.25 -45.66 15.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -122.56 -100.75 1.57 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -121.88 -58.33 1.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.532 ' O ' ' CZ ' ' A' ' 108' ' ' PHE . 1.2 mp0 -101.14 -40.16 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -61.86 128.3 35.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.532 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 8.9 m-85 -127.69 133.33 49.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.37 148.43 27.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.9 t -125.16 107.24 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -93.58 149.17 21.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.51 HG11 HG23 ' A' ' 41' ' ' ILE . 3.7 t -124.09 143.58 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.496 ' CG ' ' CE ' ' A' ' 58' ' ' MET . 30.5 m-85 -144.11 130.22 19.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.415 ' CZ2' ' HB3' ' A' ' 95' ' ' HIS . 38.3 t-105 -84.49 121.9 28.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.573 ' SG ' HG21 ' A' ' 122' ' ' VAL . 72.6 m -93.98 166.17 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.448 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 45.9 mt-10 -151.77 124.13 3.99 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.625 0.726 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 54.3 Cg_endo -69.68 -47.35 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.747 -1.772 . . . . 0.0 112.362 -0.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.528 ' OD1' HD11 ' A' ' 164' ' ' LEU . 3.4 p30 -124.15 -175.44 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -102.03 51.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.41 ' N ' ' OD1' ' A' ' 118' ' ' ASN . . . -81.7 -51.04 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -79.25 -34.61 42.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.573 HG21 ' SG ' ' A' ' 115' ' ' CYS . 55.2 t -60.84 -57.03 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.2 m -68.1 -29.89 68.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.87 -38.72 83.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.03 -52.88 36.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.2 p -61.32 -46.96 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.515 ' N ' HG13 ' A' ' 126' ' ' VAL . 38.0 tt0 -55.03 -51.57 65.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.19 -28.05 63.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.09 -34.66 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.503 ' HA ' HG11 ' A' ' 82' ' ' VAL . 96.8 m -49.92 -46.91 52.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.4 m -90.05 -52.42 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -179.21 -146.13 6.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 150.33 68.06 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.254 . . . . 0.0 112.319 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 60.6 p -63.76 166.51 7.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 8.4 t -68.52 -45.05 73.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.99 165.76 23.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 16.9 mt -89.67 123.22 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.794 0.331 . . . . 0.0 111.122 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.3 -41.68 89.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 161.86 -110.64 0.44 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -104.01 169.37 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 147.74 131.4 2.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.8 m -101.55 101.99 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.7 m -75.25 94.61 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 42.16 61.52 2.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 56.0 m -95.3 42.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.806 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 10.9 t -147.05 169.58 18.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -149.23 80.5 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.2 t -54.41 -57.04 12.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.4 t -102.3 -44.6 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 99.78 147.05 20.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.4 m -126.07 127.42 45.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.831 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.6 m -61.93 108.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 136.45 -128.74 4.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.614 ' OD1' HG21 ' A' ' 157' ' ' VAL . 1.3 p30 -114.57 129.19 56.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 157' ' ' VAL . . . -114.87 163.3 15.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . 39.15 27.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.614 HG21 ' OD1' ' A' ' 154' ' ' ASP . 99.1 t -42.94 127.24 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 5.7 t -64.13 142.62 98.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.579 0.704 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -5.92 17.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -50.94 25.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.49 -38.03 74.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -62.93 -35.83 81.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -69.04 -56.11 8.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.528 HD11 ' OD1' ' A' ' 118' ' ' ASN . 48.9 mt -47.81 -52.82 17.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 67.8 m -48.55 -47.74 39.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt -55.3 -30.68 60.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 45.3 mmm -73.63 -43.15 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -82.14 -2.33 51.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -95.25 -71.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -112.06 -33.8 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 85.07 -172.43 47.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' TYR . . . . . 0.484 ' CD2' ' HG3' ' A' ' 127' ' ' GLN . 10.0 t80 -118.43 117.7 29.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.346 . . . . 0.0 110.902 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -99.3 113.71 26.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.699 ' CG ' HG22 ' A' ' 176' ' ' THR . 17.6 t-20 -53.88 116.25 9.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.682 0.753 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -9.41 26.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.314 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.699 HG22 ' CG ' ' A' ' 174' ' ' ASN . 12.6 t -88.6 -29.44 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.34 65.35 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' LYS . . . . . 0.459 ' HG3' ' CE1' ' A' ' 180' ' ' PHE . 17.4 ttmm -76.15 90.82 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -130.08 38.12 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.459 ' CE1' ' HG3' ' A' ' 178' ' ' LYS . 48.0 p90 -111.47 157.41 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -130.35 65.43 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.91 -37.68 15.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 25.1 mtp -51.77 161.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.439 ' HG2' ' N ' ' A' ' 185' ' ' ASN . 18.3 tt0 -156.84 151.1 25.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 185' ' ' ASN . . . . . 0.439 ' N ' ' HG2' ' A' ' 184' ' ' GLN . 1.8 m-80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 p -41.26 129.19 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.842 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -119.76 129.79 54.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.16 -159.98 9.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -100.02 -48.57 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 0.0 110.876 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 t -76.5 -48.12 20.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.82 178.2 52.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.486 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 175.92 7.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.31 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.7 p -101.14 125.68 37.28 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.585 0.707 . . . . 0.0 111.157 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 103.51 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.741 2.294 . . . . 0.0 112.305 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -156.05 137.79 14.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.3 p -130.6 102.07 5.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -116.73 155.61 28.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.01 121.15 29.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.74 HG22 ' HB2' ' A' ' 61' ' ' ALA . 47.3 t -125.13 155.54 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' N ' ' CG1' ' A' ' 15' ' ' VAL . 32.2 mt-30 -102.94 113.45 26.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -94.51 119.06 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -108.13 124.46 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.46 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 8.7 tpp85 -65.58 123.07 18.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 19' ' ' ARG . 18.1 m -159.45 163.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -104.1 151.25 23.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -103.38 108.91 20.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.518 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 5.5 mp -73.35 -42.89 61.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.89 -172.68 30.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.496 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 25.9 ttp -116.75 138.33 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.535 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.7 OUTLIER -142.91 117.79 6.43 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.535 ' N ' HD13 ' A' ' 26' ' ' LEU . 53.7 Cg_endo -69.79 152.1 69.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.266 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.5 m -123.21 175.36 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -108.73 -31.04 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -113.31 145.67 33.71 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.506 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.3 Cg_endo -69.78 -29.94 22.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.845 HG12 ' HB2' ' A' ' 87' ' ' PHE . 20.4 m -138.47 153.48 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.3 108.99 0.99 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.8 mmt -53.11 -48.02 68.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -49.69 -26.02 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 87.3 m -94.51 -44.41 7.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.457 ' C ' HD23 ' A' ' 37' ' ' LEU . 9.2 tt -55.45 -47.43 76.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -70.23 -41.73 73.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.6 t -52.33 -19.6 2.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -89.92 -27.82 19.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.468 ' CD1' ' HA3' ' A' ' 91' ' ' GLY . 51.2 mt -65.75 -55.57 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -55.1 -51.43 66.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -39.1 -48.22 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 mt -74.52 -54.98 6.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.448 ' HG2' HD23 ' A' ' 23' ' ' LEU . 6.0 mtt -42.28 -42.05 2.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.4 p -63.54 -47.69 80.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.165 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.4 t -63.61 -69.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.3 m -90.15 145.65 24.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 m -96.43 164.09 12.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.811 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.0 tptp -43.89 -50.3 8.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.36 -28.23 66.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.7 -26.42 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.518 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 2.0 m0 -79.78 117.23 66.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.55 0.691 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 155.88 64.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.737 2.292 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 p -89.59 114.8 26.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.4 m -121.36 179.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -120.31 130.98 54.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.5 ttm -86.98 98.13 11.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.77 ' ND2' HD12 ' A' ' 68' ' ' ILE . 8.3 m120 -81.64 94.95 7.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 65' ' ' VAL . 66.2 t -96.32 101.01 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.74 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -101.93 174.28 6.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.074 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -41.23 99.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 54.96 46.14 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.9 m -158.79 143.64 16.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 60' ' ' VAL . 75.5 t -136.58 105.32 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.0 m -111.35 148.28 33.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.714 HG12 HD12 ' A' ' 77' ' ' LEU . 40.2 t -107.86 125.18 64.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.77 HD12 ' ND2' ' A' ' 59' ' ' ASN . 32.1 mt -122.44 143.33 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -71.54 119.44 15.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -43.26 -26.36 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -77.94 -66.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 73' ' ' GLU . 64.4 t-20 -101.7 144.8 29.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.555 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.3 mp0 -82.0 -60.48 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -54.03 -19.52 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -67.7 88.57 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 76' ' ' VAL . 10.5 p -91.02 105.23 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.714 HD12 HG12 ' A' ' 67' ' ' VAL . 17.6 mt -70.93 -61.3 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.5 t -127.63 152.4 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -132.86 95.65 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.8 t -107.43 147.93 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 82' ' ' VAL . 23.6 mtt-85 -127.58 119.4 25.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 81' ' ' ARG . 44.6 t -34.66 -61.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -39.14 -43.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 85' ' ' LEU . 38.8 m-85 -72.92 -40.48 65.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.2 tt -35.58 122.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 81.3 p -92.13 -42.52 9.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.845 ' HB2' HG12 ' A' ' 32' ' ' VAL . 71.1 t80 -160.2 134.98 7.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.621 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.8 ptp -128.28 144.28 51.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -158.08 -167.88 19.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.594 HG11 ' HA ' ' A' ' 94' ' ' VAL . 62.2 t -126.93 129.16 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.381 . . . . 0.0 111.111 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.468 ' HA3' ' CD1' ' A' ' 41' ' ' ILE . . . -54.84 -171.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -54.65 -29.14 51.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.18 133.48 52.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.787 ' HB ' HD13 ' A' ' 164' ' ' LEU . 3.7 m -60.33 -23.24 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -68.19 -20.45 64.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.576 ' O ' HG13 ' A' ' 90' ' ' VAL . 69.6 p -96.01 150.82 20.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -147.86 113.33 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.433 ' HB2' HG13 ' A' ' 112' ' ' VAL . . . -121.99 152.95 39.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -144.62 137.76 26.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.5 mt -99.62 116.81 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.5 ptm -109.4 162.8 14.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -114.78 108.75 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.7 p -92.07 -46.59 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.179 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.1 -126.26 2.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -52.89 -174.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.325 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.444 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 29.9 mt-30 -47.38 -19.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 107' ' ' ARG . 6.0 ptm180 -63.39 114.57 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.506 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 5.5 m-85 -110.99 148.69 31.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -106.64 126.53 52.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.4 t -104.2 104.61 14.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.496 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 86.3 m-70 -96.85 130.68 44.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.433 HG13 ' HB2' ' A' ' 98' ' ' ALA . 2.8 t -110.5 144.56 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.489 ' CZ ' HG21 ' A' ' 67' ' ' VAL . 77.9 m-85 -143.1 124.89 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -73.31 117.63 15.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 74.4 m -91.6 161.17 15.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 14.5 mt-10 -147.15 127.95 7.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.714 . . . . 0.0 110.909 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.3 Cg_endo -69.75 -46.45 0.36 Allowed 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.362 -0.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -120.33 -175.71 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.686 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -100.7 40.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.99 -52.29 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -67.28 -53.72 27.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 80.6 t -53.42 -57.53 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.3 p -56.88 -39.11 73.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -62.97 -42.34 99.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.95 88.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.3 p -70.91 -41.22 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.419 ' N ' HG13 ' A' ' 126' ' ' VAL . 40.2 tt0 -59.07 -50.47 73.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.54 90.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.97 -47.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 71.7 m -41.9 -45.72 3.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 90.9 p -91.15 -50.7 5.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 110.48 145.96 10.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 133.73 26.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.331 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.1 m -105.35 -59.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 23.2 t -127.51 -44.74 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 78.8 95.34 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 47.8 mm -43.08 109.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 111.138 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.68 116.53 12.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 169.75 78.81 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.448 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -92.71 131.28 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 97.68 164.36 31.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.8 p -151.2 153.96 35.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.86 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.0 t -149.27 173.62 13.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 173.82 116.31 0.42 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 72.8 p -112.2 42.63 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.363 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.9 t -63.68 114.82 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -50.72 159.56 1.69 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.519 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 80.7 p -98.69 146.53 25.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 110.862 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 58.3 p -87.51 -49.21 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 177.01 -72.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.1 p -123.49 2.16 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.826 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 32.0 p -113.77 -49.99 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 68.76 -104.96 1.33 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -151.47 -175.93 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.34 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -166.04 144.81 5.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -164.6 109.52 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.45 HG13 ' CD ' ' A' ' 161' ' ' GLU . 59.2 t -70.08 121.79 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 13.7 t -53.23 141.19 41.99 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.644 0.735 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 6.0 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.718 2.279 . . . . 0.0 112.353 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.23 -49.02 10.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.45 ' CD ' HG13 ' A' ' 157' ' ' VAL . 12.4 pt-20 -73.41 -41.1 63.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 30.3 ttt-85 -48.38 -51.64 25.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -71.55 -48.25 49.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.787 HD13 ' HB ' ' A' ' 94' ' ' VAL . 19.5 mt -46.41 -43.87 16.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 4.3 m -53.89 -55.34 27.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -43.16 -44.02 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 9.7 mtp -61.36 -40.8 95.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.12 -23.03 57.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -77.84 -73.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -102.31 -35.2 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 87.88 -160.42 31.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -132.71 122.89 25.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -105.38 107.23 18.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.665 ' OD1' HG22 ' A' ' 176' ' ' THR . 31.1 t-20 -38.71 125.63 1.17 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -36.49 10.63 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.634 2.223 . . . . 0.0 112.378 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.665 HG22 ' OD1' ' A' ' 174' ' ' ASN . 1.8 t -66.31 -33.23 75.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -96.15 91.73 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.95 136.23 47.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 179' ' ' PHE . 57.9 t80 -128.96 50.03 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -93.32 157.69 16.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 182' ' ' GLN . 48.5 mt-10 -99.5 17.73 19.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 181' ' ' GLU . 14.6 mm-40 -31.18 -73.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 7.9 mtt -38.09 153.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -61.57 166.03 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -120.4 126.87 51.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -95.33 -56.89 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.812 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.07 -167.2 24.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 m -94.85 139.87 30.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 m -128.06 -43.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.75 -166.45 29.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 139.93 41.58 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.6 p -48.21 132.59 12.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 130.01 18.7 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -100.37 166.72 10.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 12' ' ' THR . 6.9 t -131.35 126.84 36.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -116.42 -178.75 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.16 136.78 37.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.481 HG23 ' CA ' ' A' ' 61' ' ' ALA . 9.9 p -139.21 150.53 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -124.9 145.27 49.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -107.39 158.73 16.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -137.74 125.84 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -66.81 110.24 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -149.02 -175.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -123.73 165.89 16.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -117.34 115.29 24.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.476 ' H ' HD12 ' A' ' 23' ' ' LEU . 4.8 mp -80.23 -43.92 20.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.566 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 152.34 178.42 27.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 26' ' ' LEU . 11.6 tmm? -106.05 138.99 41.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.709 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -140.64 117.34 7.8 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.608 0.718 . . . . 0.0 110.952 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.478 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.5 Cg_endo -69.76 148.96 66.23 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.74 139.22 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -89.27 -1.51 58.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 mmt-85 -126.46 132.83 24.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.726 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -28.92 24.46 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.631 2.221 . . . . 0.0 112.327 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.716 HG12 ' HB2' ' A' ' 87' ' ' PHE . 15.7 m -135.33 -175.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.02 113.79 3.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.6 mmt -61.02 -30.77 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.44 -17.24 63.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.7 m -98.23 -45.3 6.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tt -59.15 -50.73 72.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -64.45 -32.14 73.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.2 t -63.88 -20.42 65.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.709 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -88.59 -19.14 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.7 mt -75.09 -61.89 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 46' ' ' THR . 3.4 mp0 -53.12 -35.51 59.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -55.56 -39.07 70.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.566 HD22 ' HA3' ' A' ' 24' ' ' GLY . 48.8 mt -81.95 -44.63 16.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 mtt -55.6 -46.26 77.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 42' ' ' GLU . 71.9 p -60.52 -35.14 75.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 t -73.88 -66.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.0 m -103.68 154.66 19.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.7 m -95.39 175.37 6.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 13.3 tptm -57.92 -51.05 71.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -67.45 -19.72 65.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.69 -23.44 56.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 12.0 m0 -76.87 120.53 82.06 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.582 0.705 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 131.14 20.68 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.756 2.304 . . . . 0.0 112.31 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.2 m -68.86 122.99 19.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.0 m -132.16 -175.38 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -124.32 124.03 41.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 29.7 ttm -87.24 107.13 18.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.446 ' ND2' HD12 ' A' ' 68' ' ' ILE . 9.2 m120 -91.08 116.3 28.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.692 HG13 HG22 ' A' ' 65' ' ' VAL . 98.3 t -117.85 101.88 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.481 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -81.67 -176.07 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -45.91 -70.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.522 ' O ' HG22 ' A' ' 82' ' ' VAL . . . -118.64 43.13 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 61' ' ' ALA . 4.7 m -160.66 149.24 16.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.123 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.692 HG22 HG13 ' A' ' 60' ' ' VAL . 49.6 t -133.44 100.11 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.0 m -102.54 149.05 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.857 HG12 HD12 ' A' ' 77' ' ' LEU . 53.3 t -113.32 117.75 56.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.446 HD12 ' ND2' ' A' ' 59' ' ' ASN . 40.4 mt -112.13 149.12 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 75' ' ' GLU . 5.2 t -91.06 148.8 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.73 -21.71 65.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -67.27 -61.01 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -127.05 134.86 50.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.42 -25.81 67.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.25 1.96 53.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.472 ' CD ' ' CB ' ' A' ' 69' ' ' SER . 56.7 tt0 -83.63 82.53 8.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.711 ' O ' HG13 ' A' ' 76' ' ' VAL . 10.2 p -79.81 87.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.857 HD12 HG12 ' A' ' 67' ' ' VAL . 12.9 mt -52.79 -57.97 8.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 79' ' ' GLU . 79.3 t -137.63 154.9 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.452 ' N ' HG12 ' A' ' 78' ' ' VAL . 42.2 tt0 -128.42 96.16 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.1 t -99.77 147.21 25.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -132.62 132.09 42.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 63' ' ' ALA . 3.7 m -53.95 -40.15 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -73.51 2.28 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -123.39 -13.58 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.49 128.7 37.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 t -93.22 -50.68 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.716 ' HB2' HG12 ' A' ' 32' ' ' VAL . 89.1 t80 -152.19 144.6 24.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.6 ptp -137.8 157.05 47.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.59 173.78 46.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 96' ' ' THR . 56.3 t -107.53 144.5 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.887 0.375 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.53 -160.82 1.41 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -62.81 -39.92 95.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.772 0.32 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -98.87 138.1 36.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.4 m -64.73 -8.39 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -82.32 -19.38 39.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.712 ' O ' HG13 ' A' ' 90' ' ' VAL . 59.1 p -98.89 149.09 23.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -149.31 118.76 6.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.687 ' CB ' HG22 ' A' ' 112' ' ' VAL . . . -130.29 144.56 51.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -131.48 155.57 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.1 mt -111.7 115.25 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.411 ' SD ' ' C ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -110.36 165.6 11.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.516 ' OD2' ' CE1' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -109.74 117.26 33.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.9 p -81.49 -45.85 15.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.54 -94.51 1.53 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -125.73 -56.91 1.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.71 -43.78 4.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -57.72 109.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.516 ' CE1' ' OD2' ' A' ' 102' ' ' ASP . 9.4 m-85 -111.24 149.28 31.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -114.31 138.98 49.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.3 t -106.64 100.87 10.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -95.56 136.44 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.687 HG22 ' CB ' ' A' ' 98' ' ' ALA . 12.0 t -123.48 150.31 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -148.6 133.02 17.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.553 ' CE3' HG22 ' A' ' 96' ' ' THR . 35.5 t-105 -82.57 111.18 18.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 87.9 m -83.34 158.4 22.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.504 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 15.6 mt-10 -148.46 127.96 6.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.646 0.736 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.6 Cg_endo -69.8 -49.99 0.21 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.376 0.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.99 -175.76 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -105.97 47.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.462 ' O ' ' CB ' ' A' ' 124' ' ' GLU . . . -85.91 -46.3 10.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -75.94 -40.85 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.97 -66.2 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.6 m -58.74 -11.88 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 120' ' ' ALA . 17.1 tt0 -88.09 -35.76 17.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.73 -35.56 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.605 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.1 p -70.41 -52.22 31.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.605 ' N ' HG13 ' A' ' 126' ' ' VAL . 5.6 pt20 -50.14 -45.17 52.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.452 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . -72.17 -33.15 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.65 -20.77 61.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 85.2 m -76.49 -49.46 16.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.1 t -60.41 -61.03 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -172.92 178.51 44.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -47.88 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.286 . . . . 0.0 112.301 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.7 p -136.8 135.85 38.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 32.3 t -64.85 -47.58 77.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.37 122.67 4.89 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 18.8 mt -104.77 136.07 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.427 ' CD ' ' H ' ' A' ' 138' ' ' GLU . 1.3 pm0 -91.11 160.64 15.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -115.07 88.59 0.48 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 165.85 23.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.816 0.341 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 161.84 139.63 2.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.8 t -165.98 144.48 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 80.2 p -147.73 170.93 16.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -169.58 -57.99 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 71.0 m -127.67 141.85 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.8 t -118.79 145.2 45.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 150.43 73.89 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.2 m -135.23 177.2 8.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 0.0 110.846 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.7 p -106.29 138.18 42.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -114.59 -157.52 11.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.52 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.5 m -144.66 134.88 24.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 60.8 p -109.26 97.98 7.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 75.88 75.36 0.86 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -110.37 164.41 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -72.17 139.98 48.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -172.08 108.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.493 HG23 ' CD ' ' A' ' 161' ' ' GLU . 5.6 p -64.64 124.13 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 4.4 t -61.13 143.24 92.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.499 0.666 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -2.55 10.34 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.7 2.266 . . . . 0.0 112.311 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -50.69 7.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.493 ' CD ' HG23 ' A' ' 157' ' ' VAL . 7.6 pt-20 -66.29 -35.59 80.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.421 ' NH2' HG11 ' A' ' 157' ' ' VAL . 26.3 ttm180 -65.43 -36.68 84.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -75.33 -32.06 60.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 73.7 mt -71.41 -28.54 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 35.3 m -76.24 -58.34 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' LYS . . . . . 0.537 ' CG ' ' N ' ' A' ' 167' ' ' MET . 5.9 ptmt -39.68 -49.84 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.537 ' N ' ' CG ' ' A' ' 166' ' ' LYS . 0.0 OUTLIER -50.39 -43.54 54.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -82.44 -15.52 52.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -80.18 -72.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -119.83 -31.23 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 99.65 -145.32 17.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -150.68 109.33 3.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.37 . . . . 0.0 110.944 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -90.21 105.48 17.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 12.6 t-20 -63.22 113.52 9.73 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -38.54 7.65 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 177' ' ' TYR . 5.3 t -38.58 -46.12 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' TYR . . . . . 0.517 ' N ' HG23 ' A' ' 176' ' ' THR . 1.6 t80 -105.91 69.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -106.06 75.71 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -124.3 106.19 10.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -111.51 178.57 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -128.6 68.95 1.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 183' ' ' MET . 1.5 tp60 -107.9 -58.37 1.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 183' ' ' MET . . . . . 0.443 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 29.0 mtt -77.33 148.49 35.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -85.64 127.88 34.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 38.1 t30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -103.62 -50.16 3.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.817 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 p -42.7 -60.67 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.6 164.62 11.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 t -163.66 153.47 14.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.7 p -89.12 -42.83 11.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.28 -114.14 3.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -170.79 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.422 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 24.4 m -131.72 100.81 15.94 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.606 0.717 . . . . 0.0 111.091 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 9' ' ' THR . 53.8 Cg_endo -69.81 161.28 46.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -128.55 163.32 25.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.0 p -125.81 92.21 3.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -46.3 169.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.493 HD13 ' C ' ' A' ' 14' ' ' LEU . 1.3 tm? -53.01 105.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.478 HG23 ' C ' ' A' ' 60' ' ' VAL . 7.2 p -121.0 138.4 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -104.93 117.34 33.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.4 146.96 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -134.33 134.53 41.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -78.19 111.08 13.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 115' ' ' CYS . 33.0 m -142.73 179.82 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -118.23 166.54 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -116.12 107.75 15.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.83 HD13 HG12 ' A' ' 112' ' ' VAL . 5.5 mp -73.63 -42.37 61.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.48 179.68 25.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.4 ' SD ' ' NE2' ' A' ' 111' ' ' HIS . 2.9 tpt -105.62 133.83 49.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.478 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -147.9 116.17 4.12 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.626 0.727 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.441 ' N ' HD13 ' A' ' 26' ' ' LEU . 53.9 Cg_endo -69.77 159.46 53.31 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.373 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.5 m -126.25 158.72 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -84.62 -38.05 20.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -115.45 143.01 29.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -17.29 37.69 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' A' ' 87' ' ' PHE . 27.8 m -139.47 162.5 26.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.68 102.75 2.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.4 mmt -48.27 -44.56 33.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -49.99 -37.91 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.1 m -82.87 -42.45 17.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.17 -44.04 78.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.1 m-80 -70.01 -48.78 56.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -41.04 -27.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.478 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -83.15 -42.32 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.431 HG23 HG11 ' A' ' 112' ' ' VAL . 71.3 mt -53.66 -54.85 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -55.92 -50.92 69.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -37.54 -55.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' SER . 13.5 mt -70.94 -51.41 26.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' LEU . 7.9 mmt -36.62 -55.88 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.6 p -59.71 -35.96 75.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' LEU . 7.7 t -62.78 -65.44 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 m -106.38 143.2 34.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.1 m -79.97 161.72 25.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -47.77 -42.02 24.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.66 -35.94 62.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -54.27 -37.2 64.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.475 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 4.6 m0 -61.63 119.43 47.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 132.54 23.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.9 m -66.06 120.38 13.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.1 m -127.0 166.08 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -110.01 121.8 46.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.448 ' HE1' ' CD2' ' A' ' 113' ' ' PHE . 41.4 ttm -89.23 102.97 15.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -90.91 110.18 21.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.478 ' C ' HG23 ' A' ' 15' ' ' VAL . 92.5 t -104.14 101.33 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -95.4 175.95 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -47.0 102.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 56.17 43.52 26.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' ALA . 37.6 m -161.52 138.31 8.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.406 HG22 HG22 ' A' ' 60' ' ' VAL . 92.7 t -128.59 96.51 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -96.79 135.62 38.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.0 t -97.59 110.77 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.4 mt -109.5 147.5 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -83.11 160.62 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -39.84 65.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -54.15 -62.19 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -114.45 171.32 7.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -97.89 -44.84 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.52 -37.17 86.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.658 ' OE2' HD23 ' A' ' 77' ' ' LEU . 20.7 tp10 -43.14 100.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 76' ' ' VAL . 5.7 p -106.85 88.13 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.092 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.658 HD23 ' OE2' ' A' ' 75' ' ' GLU . 19.9 mt -55.02 -52.16 64.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.548 HG11 ' CE1' ' A' ' 111' ' ' HIS . 59.2 t -138.99 140.34 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -119.19 96.99 5.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.467 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 46.8 t -103.57 148.23 26.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 82' ' ' VAL . 19.6 ttt180 -127.38 121.28 30.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' ARG . 95.5 t -33.6 -61.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.41 ' HA ' HG21 ' A' ' 176' ' ' THR . 56.5 mtp180 -41.82 -46.65 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' ARG . 11.5 m-85 -66.33 -43.09 87.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.449 HD13 ' HE1' ' A' ' 88' ' ' MET . 3.0 tt -40.97 112.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.2 p -78.23 -39.84 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.557 ' HB2' HG12 ' A' ' 32' ' ' VAL . 49.8 t80 -165.95 131.26 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.453 ' HE1' HG22 ' A' ' 126' ' ' VAL . 21.7 ptp -114.93 154.15 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.25 165.45 38.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.751 HG11 ' HA ' ' A' ' 94' ' ' VAL . 84.1 t -108.89 146.41 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.47 -174.48 38.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -42.9 -47.49 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -94.34 117.02 29.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.751 ' HA ' HG11 ' A' ' 90' ' ' VAL . 3.9 m -46.81 -40.85 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.416 ' N ' ' CG2' ' A' ' 94' ' ' VAL . 16.7 m80 -43.01 -37.84 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.591 ' O ' HG13 ' A' ' 90' ' ' VAL . 27.5 p -75.41 159.45 31.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -158.35 114.75 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.486 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -130.04 153.32 48.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.062 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.467 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 42.6 p90 -138.05 140.73 40.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.3 mt -96.16 111.26 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.674 ' SD ' HG23 ' A' ' 103' ' ' THR . 0.6 OUTLIER -111.74 167.36 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -119.85 105.14 10.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.948 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.674 HG23 ' SD ' ' A' ' 101' ' ' MET . 17.2 p -76.61 -50.46 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.78 -122.45 2.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 107' ' ' ARG . 1.5 m120 -58.39 -174.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.309 . . . . 0.0 110.933 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.548 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 0.5 OUTLIER -38.82 -25.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 105' ' ' ASN . 27.8 mtt180 -56.36 108.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.548 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 5.9 m-85 -109.02 141.53 41.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -109.7 145.57 36.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.8 t -120.38 112.57 19.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.548 ' CE1' HG11 ' A' ' 78' ' ' VAL . 69.5 m80 -95.57 128.14 42.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.83 HG12 HD13 ' A' ' 23' ' ' LEU . 27.6 t -108.48 136.46 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.466 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 55.7 m-85 -142.29 125.11 16.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -76.21 127.47 32.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.516 ' HA ' HG12 ' A' ' 20' ' ' VAL . 68.0 m -104.98 143.75 32.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 13.2 mp0 -129.48 131.37 23.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.681 0.753 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.6 Cg_endo -69.76 -47.87 0.29 Allowed 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.325 -0.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.24 -178.95 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.736 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -96.17 44.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 124' ' ' GLU . . . -81.56 -49.94 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -72.94 -56.35 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.7 t -49.01 -56.94 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 t -62.92 -38.6 91.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 120' ' ' ALA . 21.5 tt0 -63.57 -32.07 73.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.3 -58.0 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.1 p -56.33 -44.01 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.468 ' N ' HG13 ' A' ' 126' ' ' VAL . 43.7 tt0 -60.89 -45.77 93.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.76 -48.81 73.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.29 -42.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 91.3 m -51.62 -49.64 61.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 t -48.27 -43.91 33.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.53 160.14 27.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 0.41 5.68 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.8 m -38.57 147.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 34.0 t -112.38 117.15 31.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 158.24 98.9 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.42 122.68 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.88 138.91 32.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 179.67 37.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.538 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 137.15 47.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 110.838 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 142' ' ' SER . . . 150.09 -42.66 0.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.471 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 141' ' ' GLY . 43.4 p -35.36 109.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.871 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.3 m -153.51 118.05 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.19 -146.2 18.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.8 t -100.75 175.88 5.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 31.9 t -162.77 166.07 24.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -120.1 179.96 16.47 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 50.4 m -144.25 171.53 14.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.384 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 58.3 p -142.01 173.88 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 175.22 -136.87 3.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 62.0 m 52.72 41.89 31.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 15.1 t -37.7 148.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 174.12 51.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -166.21 176.22 7.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -73.36 162.87 28.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -160.66 105.55 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 13.2 p -52.2 143.64 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 8.7 t -71.06 142.07 87.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.533 0.683 . . . . 0.0 111.187 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -11.52 31.04 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.727 2.284 . . . . 0.0 112.352 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -70.3 -43.64 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.74 -52.69 23.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -47.16 -49.76 21.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -58.66 -69.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.736 HD21 ' C ' ' A' ' 119' ' ' ALA . 10.5 mt -40.86 -39.41 1.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 6.1 m -65.66 -47.78 74.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -59.05 -27.85 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 96.9 mmm -72.09 -53.35 13.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.464 ' OE1' HG12 ' A' ' 94' ' ' VAL . 8.6 pt20 -70.97 -23.79 62.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -72.8 -66.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -113.77 -30.93 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 79.72 -159.1 43.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' TYR . . . . . 0.537 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 69.4 t80 -136.55 144.64 44.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -118.03 122.63 43.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.479 ' ND2' ' CG2' ' A' ' 176' ' ' THR . 24.6 t30 -64.79 119.54 58.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.653 0.74 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -41.98 3.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.639 2.226 . . . . 0.0 112.338 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.479 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 5.5 t -48.78 -24.11 1.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.86 58.27 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' LYS . . . . . 0.421 ' HG3' ' CE1' ' A' ' 180' ' ' PHE . 7.3 ttmm -86.55 40.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -98.53 36.38 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.421 ' CE1' ' HG3' ' A' ' 178' ' ' LYS . 46.3 p90 -107.04 172.96 6.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -130.6 68.75 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -108.78 -46.14 3.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 55.4 mmm -68.27 155.02 40.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -114.89 132.28 56.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 41.7 t30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -142.48 156.58 45.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -168.84 139.43 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.67 42.55 0.13 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -98.15 171.19 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -143.45 135.1 26.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' C ' ' HD3' ' A' ' 10' ' ' PRO . . . -153.35 77.69 0.21 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.546 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 9' ' ' THR . 53.9 Cg_endo -69.74 83.9 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 9' ' ' THR . 24.5 m 34.63 54.43 1.72 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.573 0.701 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 9' ' ' THR . 54.2 Cg_endo -69.69 84.56 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' NZ ' ' HG2' ' A' ' 13' ' ' GLU . 2.5 ptmm? -62.94 169.2 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.1 m -83.77 105.04 14.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.405 ' HG2' ' NZ ' ' A' ' 11' ' ' LYS . 77.0 mt-10 -82.82 173.94 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.521 HD13 ' C ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -74.71 105.19 5.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.421 HG23 ' C ' ' A' ' 60' ' ' VAL . 7.3 p -127.47 149.88 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.17 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -116.97 121.68 42.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -90.92 143.92 26.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -135.38 129.96 34.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -74.07 120.82 20.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 115' ' ' CYS . 27.2 m -152.36 -178.6 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -121.04 155.23 34.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -106.7 118.17 35.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.526 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 6.3 mp -82.76 -43.23 17.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.19 -176.13 30.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.7 ttp -111.41 134.74 52.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.704 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -140.13 116.83 8.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.649 0.737 . . . . 0.0 110.92 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 151.08 69.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.5 m -121.82 168.27 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.82 -39.91 8.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -110.13 144.03 29.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.657 0.742 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.514 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.79 -25.22 28.7 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.651 HG12 ' HB2' ' A' ' 87' ' ' PHE . 34.4 m -135.34 150.92 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.77 98.03 0.78 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.6 mmt -44.27 -45.58 8.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.89 -42.66 48.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.1 m -73.11 -42.0 63.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.183 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.906 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.5 tt -59.33 -45.94 89.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -63.11 -39.7 95.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 t -57.77 -17.34 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.704 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -92.23 -33.53 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.06 -55.41 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 44' ' ' LEU . 38.4 mt-10 -57.9 -57.25 13.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLU . 39.0 m-20 -36.23 -29.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 42' ' ' GLU . 50.3 mt -90.26 -40.51 12.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.531 ' HE2' ' CH2' ' A' ' 53' ' ' TRP . 4.0 mtt -63.88 -43.98 94.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 t -61.09 -27.28 68.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.9 p -86.3 -63.22 1.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.9 m -97.37 147.61 24.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.51 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 3.0 m -92.03 170.02 10.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 30.7 tttt -55.03 -41.9 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -71.94 -31.93 66.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.25 -28.03 68.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.531 ' CH2' ' HE2' ' A' ' 45' ' ' MET . 2.0 m0 -76.39 114.18 35.75 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.544 0.688 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.95 20.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 m -95.25 125.0 39.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.0 m -133.67 156.96 42.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -98.55 120.01 38.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.534 ' HG2' HG23 ' A' ' 60' ' ' VAL . 48.6 ttm -87.61 105.58 17.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -89.94 97.5 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.534 HG23 ' HG2' ' A' ' 58' ' ' MET . 92.7 t -97.0 99.1 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.15 -179.78 6.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -49.3 -63.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -123.56 36.36 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 m -154.36 151.14 28.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 83.4 t -134.44 98.81 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -102.97 147.72 26.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.7 t -112.33 117.13 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.61 HG21 ' HA ' ' A' ' 73' ' ' GLU . 93.6 mt -111.77 127.94 68.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -66.85 126.5 29.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -43.8 -28.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -55.51 -62.62 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -131.33 163.16 28.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.61 ' HA ' HG21 ' A' ' 68' ' ' ILE . 30.0 tt0 -85.01 -27.09 26.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.84 -4.29 58.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -87.43 96.73 10.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 81.7 t -95.99 95.9 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.54 -39.93 92.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 111' ' ' HIS . 99.4 t -150.54 144.9 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -124.54 100.64 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.8 t -107.01 148.11 29.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' PHE . 17.5 mtp85 -128.64 120.99 27.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.624 HG13 ' SG ' ' A' ' 130' ' ' CYS . 98.9 t -38.15 -38.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -63.9 -43.53 95.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 81' ' ' ARG . 34.5 m-85 -72.67 -37.23 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.445 ' O ' ' CG ' ' A' ' 174' ' ' ASN . 1.3 tt -42.58 137.94 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.7 p -105.22 -44.5 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.651 ' HB2' HG12 ' A' ' 32' ' ' VAL . 40.6 t80 -160.18 145.1 14.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.5 ptp -135.83 146.87 47.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -163.14 -178.0 36.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.485 HG11 ' HA ' ' A' ' 94' ' ' VAL . 76.4 t -119.9 140.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.48 -179.63 41.86 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -41.62 -46.12 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.747 0.308 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -92.17 123.47 35.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.485 ' HA ' HG11 ' A' ' 90' ' ' VAL . 13.2 m -60.81 -19.66 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -66.66 -19.52 65.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.566 HG22 ' CE3' ' A' ' 114' ' ' TRP . 30.1 p -99.09 160.82 13.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -154.13 116.06 4.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.906 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -122.83 157.22 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.551 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 5.1 p90 -153.19 138.54 17.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.3 mt -96.76 118.56 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.5 ptm -108.3 159.38 16.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -99.42 117.63 34.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.0 p -116.49 39.79 3.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.97 -131.07 7.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.416 ' C ' ' N ' ' A' ' 107' ' ' ARG . 73.3 m-20 -57.0 -174.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.448 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 17.3 mt-30 -44.06 -22.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 107' ' ' ARG . 6.0 ptm180 -57.98 115.52 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.514 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 6.4 m-85 -120.14 142.38 48.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -109.86 131.91 54.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 32.7 t -107.62 111.07 23.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.594 ' CE1' HG11 ' A' ' 78' ' ' VAL . 45.8 m80 -91.8 134.27 34.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.825 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.403 HG21 HD12 ' A' ' 44' ' ' LEU . 7.8 t -111.59 134.92 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.518 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 41.3 m-85 -137.11 133.93 35.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.566 ' CE3' HG22 ' A' ' 96' ' ' THR . 52.7 t-105 -85.94 120.42 27.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.464 ' HA ' HG12 ' A' ' 20' ' ' VAL . 66.2 m -101.9 155.21 18.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.51 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.1 mm-40 -140.99 131.68 13.42 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.672 0.749 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.4 Cg_endo -69.76 -45.94 0.39 Allowed 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.361 -0.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.34 178.08 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.51 46.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.27 -64.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -58.84 -50.55 73.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.2 t -54.29 -55.64 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.3 p -60.45 -40.13 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -61.59 -41.47 97.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.0 -54.08 39.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 127' ' ' GLN . 6.3 p -60.54 -47.32 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.497 ' N ' HG13 ' A' ' 126' ' ' VAL . 22.9 tt0 -51.38 -59.84 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.09 -41.51 75.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.508 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -38.85 -38.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.624 ' SG ' HG13 ' A' ' 82' ' ' VAL . 69.0 m -67.04 -63.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.1 p -49.5 -51.44 36.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.75 109.85 1.88 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -29.2 24.06 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.247 . . . . 0.0 112.302 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.1 m -71.64 162.06 30.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.7 t 59.37 44.56 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -139.96 152.11 22.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.616 HD12 ' H ' ' A' ' 137' ' ' ILE . 5.4 mp -69.55 119.28 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -109.55 139.84 44.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 164.58 150.53 6.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -130.67 153.69 48.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -87.06 151.62 23.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.7 t -158.55 146.85 18.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 32.6 t -103.46 -59.84 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 116.42 -109.27 1.93 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.543 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.9 m -81.68 118.33 22.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.7 t -143.49 176.61 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -179.48 -152.54 10.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.7 m 43.96 48.75 7.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 110.863 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 26.6 p -85.79 177.85 7.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 161.08 108.05 0.23 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 99.4 p -145.96 167.08 24.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.9 t -144.97 114.85 7.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.7 164.85 22.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -165.15 112.49 0.99 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.84 0.353 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -144.09 133.62 23.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -168.1 110.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 157' ' ' VAL . 11.9 p -66.19 127.46 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 15.1 t -53.22 141.14 42.16 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.526 0.679 . . . . 0.0 111.18 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 6.73 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -80.0 -57.26 3.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 162' ' ' ARG . 6.4 pt-20 -67.15 -39.99 86.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.46 ' N ' ' HG3' ' A' ' 161' ' ' GLU . 34.5 ttp180 -61.81 -44.6 96.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -71.58 -38.86 70.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.34 -38.09 79.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 89.3 p -64.37 -58.42 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -38.82 -40.25 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.9 mtp -67.96 -49.95 58.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.25 -16.83 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -83.0 -73.32 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -105.3 -48.05 3.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 90.8 176.12 44.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.541 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -104.13 122.61 45.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -100.64 94.46 6.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 6.8 t-20 -38.35 100.01 0.2 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.631 0.729 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 176' ' ' THR . 53.4 Cg_endo -69.72 -49.3 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.735 2.29 . . . . 0.0 112.309 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 177' ' ' TYR . 6.8 t -33.19 -45.2 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' TYR . . . . . 0.464 ' N ' HG23 ' A' ' 176' ' ' THR . 1.2 t80 -72.75 94.51 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -52.98 -174.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 60.94 49.91 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -115.81 164.1 14.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -121.57 65.48 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' ' 183' ' ' MET . 17.9 pt20 -49.38 -42.43 42.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 183' ' ' MET . . . . . 0.435 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 3.2 mmt -81.7 161.41 23.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -123.41 161.62 24.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.8 p -124.99 -51.17 1.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.826 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p 39.34 43.94 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.05 -175.63 47.86 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.539 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -162.41 121.91 2.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 p -110.27 132.06 54.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.0 -93.21 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 163.98 36.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.652 2.234 . . . . 0.0 112.346 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.1 m -132.31 107.37 13.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.5 69.43 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.732 2.288 . . . . 0.0 112.322 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.61 43.82 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m 50.58 46.94 25.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -53.9 154.93 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' HA ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -104.53 110.85 23.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG23 ' HB2' ' A' ' 61' ' ' ALA . 7.8 p -125.97 158.64 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -109.04 135.34 50.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.78 146.07 41.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -132.85 142.94 49.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.418 ' C ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -78.84 122.25 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.418 HG13 ' C ' ' A' ' 19' ' ' ARG . 5.7 m -157.25 178.52 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -119.66 162.67 18.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -114.62 115.36 27.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.4 mp -85.61 -32.11 22.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.63 -168.59 25.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -122.33 137.47 54.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.758 0.313 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.772 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -138.28 116.66 9.48 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.579 0.704 . . . . 0.0 110.934 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 150.28 67.83 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.632 2.221 . . . . 0.0 112.296 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.4 m -123.37 159.06 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -91.38 -37.92 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -110.88 144.06 29.55 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.738 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.516 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.74 -30.6 22.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.2 m -122.01 -177.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.9 106.24 2.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.425 ' CE ' ' HA3' ' A' ' 89' ' ' GLY . 4.6 mmt -57.16 -29.1 63.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.308 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.14 -23.66 64.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.1 m -88.3 -49.65 6.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.153 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' C ' HD23 ' A' ' 37' ' ' LEU . 10.5 tt -58.63 -52.23 66.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -58.88 -26.54 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 t -69.56 -27.47 65.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.772 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -80.16 -26.12 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.42 HG23 HG11 ' A' ' 112' ' ' VAL . 59.4 mt -66.63 -57.25 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.497 ' O ' HG22 ' A' ' 46' ' ' THR . 14.1 mt-10 -57.68 -54.12 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' GLU . 61.1 m-20 -36.35 -34.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.629 HD12 HG21 ' A' ' 112' ' ' VAL . 32.3 mt -87.14 -53.41 4.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.469 ' HG2' HD23 ' A' ' 23' ' ' LEU . 6.1 mtt -47.81 -45.26 29.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.7 t -63.98 -26.8 68.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.7 t -81.67 -63.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' MET . 4.6 m -97.83 157.6 15.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.54 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.5 m -97.2 173.2 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 23.6 tttm -62.32 -48.66 78.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.65 -21.79 61.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -73.59 -21.68 60.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 18.9 m0 -73.71 118.37 68.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.696 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 135.32 30.2 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.1 p -64.39 127.68 32.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.6 m -138.46 150.09 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.85 119.62 36.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.3 tpp -82.9 114.03 20.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.468 ' ND2' HD12 ' A' ' 68' ' ' ILE . 8.8 m120 -100.6 123.84 45.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.664 HG13 HG22 ' A' ' 65' ' ' VAL . 49.1 t -122.59 98.99 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.514 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -95.69 -178.39 4.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -49.99 110.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 48.16 39.98 12.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 61' ' ' ALA . 33.6 m -157.99 139.47 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.664 HG22 HG13 ' A' ' 60' ' ' VAL . 99.0 t -131.15 102.25 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -103.27 141.16 36.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.435 HG12 HD12 ' A' ' 77' ' ' LEU . 45.6 t -103.1 110.49 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.684 HG23 ' O ' ' A' ' 73' ' ' GLU . 83.6 mt -106.15 142.54 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 75' ' ' GLU . 13.2 t -73.91 157.11 36.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -80.06 -38.87 30.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -69.42 -40.41 77.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.424 ' HB3' ' CB ' ' A' ' 75' ' ' GLU . 50.8 t-20 -124.44 145.09 49.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.684 ' O ' HG23 ' A' ' 68' ' ' ILE . 32.4 mt-10 -83.08 -68.47 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.67 -24.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.424 ' CB ' ' HB3' ' A' ' 72' ' ' ASN . 61.1 tt0 -57.59 97.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.518 ' O ' HG22 ' A' ' 76' ' ' VAL . 1.8 p -95.52 86.82 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.435 HD12 HG12 ' A' ' 67' ' ' VAL . 39.0 mt -50.07 -54.08 22.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 79' ' ' GLU . 78.2 t -140.12 157.17 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.482 ' N ' HG12 ' A' ' 78' ' ' VAL . 41.6 tt0 -133.65 99.77 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.463 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 43.0 t -109.99 148.04 32.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' VAL . 16.2 mtp85 -125.01 121.41 34.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' ARG . 96.6 t -36.14 -57.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -47.89 -46.1 31.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -65.62 -35.29 80.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 87' ' ' PHE . 2.5 tt -45.74 129.7 9.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.7 p -98.71 -40.01 8.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.443 ' N ' HD23 ' A' ' 85' ' ' LEU . 53.6 t80 -160.22 134.02 7.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.43 ' HB3' HD21 ' A' ' 85' ' ' LEU . 9.9 ptp -126.96 138.82 53.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.425 ' HA3' ' CE ' ' A' ' 34' ' ' MET . . . -150.32 -173.5 20.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 96' ' ' THR . 46.1 t -127.9 128.41 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 111.155 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.96 175.78 0.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -53.55 -17.53 2.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -110.25 131.3 55.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.761 ' HB ' HD22 ' A' ' 164' ' ' LEU . 12.6 m -64.07 -14.59 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -83.31 -5.94 59.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.586 ' O ' HG13 ' A' ' 90' ' ' VAL . 76.7 p -109.75 148.82 30.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -153.79 112.99 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -120.56 161.36 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.463 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 8.7 p90 -149.0 140.92 23.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mt -102.33 114.66 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.0 ptm -105.74 160.57 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.51 116.01 28.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.7 p -111.99 41.18 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 156.65 -121.87 1.12 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -108.9 -65.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.555 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 28.9 mt-30 -108.38 -40.46 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -60.3 123.28 16.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.555 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 5.4 m-85 -124.73 142.55 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -108.5 152.85 24.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 15.2 t -128.74 120.9 27.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 96.6 m-70 -102.62 135.84 43.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.629 HG21 HD12 ' A' ' 44' ' ' LEU . 6.2 t -111.73 137.05 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 21.8 m-85 -140.15 128.74 22.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 38.4 t-105 -84.5 114.22 21.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.61 ' SG ' HG21 ' A' ' 122' ' ' VAL . 97.5 m -86.66 165.49 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.478 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 22.1 mt-10 -150.79 126.72 5.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.634 0.731 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.4 Cg_endo -69.79 -48.88 0.25 Allowed 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.38 -0.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -119.53 -176.91 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -100.12 43.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.497 ' HB2' HD11 ' A' ' 164' ' ' LEU . . . -79.43 -61.88 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -62.71 -44.22 96.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.61 HG21 ' SG ' ' A' ' 115' ' ' CYS . 83.6 t -57.8 -48.4 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.0 t -75.79 -12.08 60.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.48 -38.42 20.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.8 -41.67 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 127' ' ' GLN . 12.4 p -71.11 -41.82 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.461 ' N ' HG13 ' A' ' 126' ' ' VAL . 33.5 tp60 -58.3 -57.57 12.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.3 -32.42 73.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -51.75 -43.11 62.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 93.6 m -54.63 -40.16 68.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -70.73 -50.69 33.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 118.37 160.8 11.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.45 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 91.7 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.659 2.24 . . . . 0.0 112.365 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.4 t -90.04 167.7 12.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 54.5 p -103.11 147.11 27.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.7 150.66 47.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 138' ' ' GLU . 54.6 mt -60.34 116.69 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 111.134 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 137' ' ' ILE . 17.0 mm-40 -35.64 111.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -134.69 109.07 0.75 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.522 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -99.92 86.2 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -79.0 137.77 19.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.442 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.2 t -133.94 159.93 39.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.901 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 144' ' ' GLY . 2.3 m -73.41 -46.74 46.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 143' ' ' SER . . . 35.26 -130.15 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.8 m -82.79 168.92 16.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.381 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 27.6 t -103.78 149.29 25.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.921 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 147.84 56.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.9 m -138.64 119.29 14.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 67.7 m -159.35 170.74 21.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 138.3 118.34 1.64 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.2 t -143.32 155.72 44.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.371 . . . . 0.0 110.864 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.3 t -134.05 121.82 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -117.65 61.7 0.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -137.18 166.82 22.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.39 139.42 57.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -163.88 108.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.035 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 6.1 p -43.19 130.59 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.409 ' CG2' ' HG3' ' A' ' 161' ' ' GLU . 6.4 t -66.78 142.57 97.56 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.556 0.693 . . . . 0.0 111.151 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 0.99 4.85 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.614 ' O ' HD12 ' A' ' 164' ' ' LEU . 8.6 mm-40 -80.23 -54.22 5.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.409 ' HG3' ' CG2' ' A' ' 158' ' ' THR . 8.6 mt-10 -61.66 -36.56 81.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -59.93 -33.31 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -62.16 -69.54 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.761 HD22 ' HB ' ' A' ' 94' ' ' VAL . 4.2 mp -40.75 -43.86 2.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 2.3 m -48.38 -42.51 31.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -65.83 -38.44 88.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 41.1 mmm -62.68 -35.6 80.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -87.24 -16.28 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -76.94 -72.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -110.15 -30.61 7.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 86.88 -169.44 40.5 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -131.96 123.9 28.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.883 0.373 . . . . 0.0 110.901 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -106.8 105.51 15.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.469 ' ND2' HG22 ' A' ' 176' ' ' THR . 28.7 t30 -42.16 122.62 2.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.655 0.741 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -50.54 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.469 HG22 ' ND2' ' A' ' 174' ' ' ASN . 5.3 t -53.25 -40.1 64.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' TYR . . . . . 0.404 ' N ' HG23 ' A' ' 176' ' ' THR . 18.0 t80 -107.25 119.76 40.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -144.07 123.09 12.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.428 ' CD2' ' HG3' ' A' ' 31' ' ' PRO . 8.3 t80 -84.19 -51.44 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.92 173.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 183' ' ' MET . 2.3 pt-20 -132.02 70.44 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 181' ' ' GLU . 7.8 pt20 32.75 34.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 181' ' ' GLU . 2.4 mmm -94.4 143.5 26.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -46.81 160.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.6 m -151.14 173.74 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -108.44 90.55 3.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.14 140.5 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -169.38 114.39 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 110.819 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -132.72 174.15 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.99 150.46 5.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 160.66 48.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.5 t -41.03 144.15 0.67 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.605 0.716 . . . . 0.0 111.126 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 92.56 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.729 2.286 . . . . 0.0 112.343 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -89.24 106.23 18.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.8 m -153.53 122.39 6.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -96.65 149.9 21.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.488 HD23 ' N ' ' A' ' 15' ' ' VAL . 4.6 tt -46.06 146.65 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.521 HG23 ' CA ' ' A' ' 61' ' ' ALA . 12.9 p -131.18 153.08 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -102.86 134.12 46.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.432 ' CD ' ' H ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -103.9 142.1 34.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -122.31 155.48 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -92.57 111.21 22.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 115' ' ' CYS . 21.8 m -147.63 178.12 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -119.11 155.43 31.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -105.51 116.85 32.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.49 HD23 ' HG2' ' A' ' 45' ' ' MET . 6.0 mp -85.07 -36.13 21.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.54 -169.38 25.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.8 ttp -120.38 138.85 53.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.531 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -140.3 118.04 8.24 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.597 0.713 . . . . 0.0 110.936 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.471 ' N ' HD13 ' A' ' 26' ' ' LEU . 54.5 Cg_endo -69.71 148.74 66.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.262 . . . . 0.0 112.383 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.5 m -121.16 -177.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.64 -43.71 3.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -99.03 141.55 23.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -17.07 37.83 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.429 HG12 ' HB2' ' A' ' 87' ' ' PHE . 16.4 m -143.51 176.3 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.98 106.93 3.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.82 -34.04 51.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -63.61 -32.41 73.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.8 m -79.66 -45.56 18.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.6 tt -61.04 -47.65 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -61.16 -34.6 75.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.411 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 5.0 t -63.26 -17.23 62.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -91.73 -24.49 19.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.63 HG23 HG11 ' A' ' 112' ' ' VAL . 19.8 mt -71.32 -57.56 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -56.54 -46.13 80.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 39' ' ' SER . 62.5 m-20 -41.04 -45.4 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 47' ' ' SER . 10.8 mt -80.28 -57.57 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.49 ' HG2' HD23 ' A' ' 23' ' ' LEU . 4.8 mtt -39.87 -31.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.5 p -77.09 -43.01 35.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' LEU . 72.8 m -61.98 -57.56 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.1 m -106.54 158.24 17.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.449 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 12.8 m -96.11 177.4 5.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.569 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 18.9 tptp -62.71 -39.84 95.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.21 -26.21 55.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -69.94 -20.2 63.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.569 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 14.1 m0 -78.84 114.64 45.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.515 0.674 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 149.15 66.02 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.232 . . . . 0.0 112.31 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -78.94 127.95 32.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.1 m -135.57 155.66 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -98.01 116.01 29.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.2 tpp -84.17 114.9 22.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -98.8 115.89 29.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.459 HG11 ' CB ' ' A' ' 125' ' ' ALA . 92.1 t -113.15 100.48 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.521 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -80.13 -175.14 4.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -50.64 -61.87 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.86 32.24 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.463 HG22 ' N ' ' A' ' 65' ' ' VAL . 64.7 m -149.17 156.14 41.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.463 ' N ' HG22 ' A' ' 64' ' ' THR . 86.0 t -136.79 114.78 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 m -114.54 147.89 38.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.511 HG12 HD12 ' A' ' 77' ' ' LEU . 91.8 t -109.12 109.93 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.0 mt -106.36 136.71 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.5 t -63.65 144.44 57.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' C ' ' CD ' ' A' ' 70' ' ' GLU . 5.7 tm-20 -60.18 -39.13 85.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -72.13 -73.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -75.14 168.63 19.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 13.9 pt-20 -113.32 -37.61 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 9.1 pm0 -88.95 7.89 32.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -87.08 89.19 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 76' ' ' VAL . 1.7 p -79.84 95.5 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.511 HD12 HG12 ' A' ' 67' ' ' VAL . 45.1 mt -62.44 -40.5 96.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 79' ' ' GLU . 35.0 t -153.33 152.51 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.0 tt0 -132.08 104.5 6.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.6 t -114.23 135.23 54.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.514 ' HB2' ' CD2' ' A' ' 84' ' ' PHE . 6.2 mpt_? -115.63 138.28 51.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 130' ' ' CYS . 99.8 t -44.17 -37.33 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 14.8 ptt180 -65.01 -35.3 80.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 81' ' ' ARG . 16.6 m-85 -84.26 -16.64 42.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 88' ' ' MET . 3.3 tt -67.67 101.9 1.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.3 t -70.21 -59.08 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.429 ' HB2' HG12 ' A' ' 32' ' ' VAL . 8.6 t80 -154.31 132.21 11.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.544 ' HB3' HD21 ' A' ' 85' ' ' LEU . 6.1 ptp -111.2 167.14 10.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.37 -175.56 46.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 64.5 t -131.53 144.32 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.5 -171.51 5.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -14.37 19.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.36 154.61 29.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.648 ' HB ' HD22 ' A' ' 164' ' ' LEU . 9.4 m -87.6 -6.48 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -87.69 7.34 30.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.463 HG22 ' CE3' ' A' ' 114' ' ' TRP . 43.0 p -123.9 162.47 23.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -155.6 114.2 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.845 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -126.05 133.49 51.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.07 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -129.01 144.03 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.4 mt -99.01 127.44 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 28.2 ptm -126.5 167.26 15.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -115.61 112.82 22.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.8 p -97.5 -46.14 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.52 -129.19 2.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 107' ' ' ARG . 3.6 m-20 -56.28 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.559 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 17.4 mt-30 -42.68 -23.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 105' ' ' ASN . 24.8 mtp85 -64.37 105.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.559 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 3.3 m-85 -98.27 147.96 24.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -106.91 125.78 51.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.8 t -106.89 109.39 21.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -96.16 138.27 34.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.63 HG11 HG23 ' A' ' 41' ' ' ILE . 2.6 t -115.24 144.04 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -140.93 131.26 25.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.493 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 33.7 t-105 -89.17 121.57 31.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 122' ' ' VAL . 66.3 m -96.38 175.09 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 49.2 mt-10 -159.17 126.49 2.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.4 Cg_endo -69.73 -50.3 0.19 OUTLIER 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.345 -0.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.36 177.59 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.67 31.58 2.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.12 -72.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -46.72 -43.27 17.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.632 HG21 ' SG ' ' A' ' 115' ' ' CYS . 95.5 t -60.76 -65.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.0 m -59.74 -19.83 52.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.97 -36.13 62.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.459 ' CB ' HG11 ' A' ' 60' ' ' VAL . . . -67.7 -49.69 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 3.2 p -62.81 -41.42 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.407 ' OE1' ' CD2' ' A' ' 172' ' ' TYR . 2.9 tp-100 -50.81 -50.77 55.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.39 -28.59 59.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.28 -45.13 23.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.576 ' HA ' HG11 ' A' ' 82' ' ' VAL . 78.7 m -52.33 -60.01 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.5 t -104.38 42.99 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -69.74 -69.67 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.553 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 114.26 3.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.292 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.1 m -159.17 160.6 35.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 49.6 p -122.18 150.27 42.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 97.37 124.86 4.95 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 24.8 mt -110.19 123.83 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -146.02 157.89 43.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 103.88 83.51 1.7 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 140' ' ' ARG . 9.2 ttp-105 -47.97 -53.86 14.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 87.45 97.14 0.89 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.3 m -142.46 128.08 19.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 45.4 t -110.59 -39.96 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 104.82 -173.98 21.29 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.0 m 60.63 43.96 12.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 49.0 m -119.33 86.14 2.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 178.26 -156.09 18.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.1 m -55.71 109.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.7 m -167.73 174.35 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 152.79 85.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 21.8 m -118.12 137.32 53.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.907 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 15.9 t -53.97 140.61 30.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 86.01 69.47 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -95.09 100.39 12.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -109.61 156.48 20.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -175.04 113.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 7.7 p -46.37 138.48 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.49 HG23 ' H ' ' A' ' 161' ' ' GLU . 6.5 t -77.74 140.54 63.39 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.593 0.711 . . . . 0.0 111.153 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -1.09 7.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.355 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -88.42 -38.45 15.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.49 ' H ' HG23 ' A' ' 158' ' ' THR . 5.3 mm-40 -69.36 -57.76 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 161' ' ' GLU . 13.4 ptt180 -36.94 -38.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 164' ' ' LEU . 27.4 t60 -79.54 -64.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.648 HD22 ' HB ' ' A' ' 94' ' ' VAL . 10.3 mt -36.06 -44.16 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 3.9 m -70.09 -50.32 42.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -48.06 -26.6 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.419 ' SD ' ' CE1' ' A' ' 163' ' ' HIS . 77.8 mmm -74.8 -51.17 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -79.89 -7.96 59.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -82.28 -63.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -125.8 -26.53 3.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 83.74 -172.98 50.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' TYR . . . . . 0.407 ' CD2' ' OE1' ' A' ' 127' ' ' GLN . 7.2 t80 -121.37 91.23 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.386 . . . . 0.0 110.939 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.59 115.37 8.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.521 ' CG ' HG22 ' A' ' 176' ' ' THR . 35.7 t30 -57.57 109.93 2.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.567 0.699 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -20.31 34.9 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.521 HG22 ' CG ' ' A' ' 174' ' ' ASN . 12.4 t -79.57 -23.56 42.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -101.0 77.85 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' LYS . . . . . 0.429 ' HD3' ' CZ ' ' A' ' 180' ' ' PHE . 4.0 tppp? -105.56 79.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -92.54 -33.38 14.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.429 ' CZ ' ' HD3' ' A' ' 178' ' ' LYS . 22.0 p90 -70.45 179.38 2.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -131.24 68.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -108.32 -50.66 3.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 183' ' ' MET . . . . . 0.423 ' N ' ' SD ' ' A' ' 183' ' ' MET . 0.0 OUTLIER -53.53 147.67 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -112.8 162.61 15.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.9 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.4 p -174.74 163.39 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p 40.21 42.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.66 -169.51 12.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -90.77 114.35 26.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.938 0.399 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -156.36 118.81 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.73 -95.93 0.1 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 121.82 8.52 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.339 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.3 p -130.85 121.81 19.16 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.571 0.701 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -171.82 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.286 . . . . 0.0 112.37 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -70.09 146.81 50.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.5 p -77.66 91.21 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -82.28 154.49 25.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -79.66 117.19 20.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.604 HG23 ' HA ' ' A' ' 61' ' ' ALA . 14.7 p -108.58 153.69 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.567 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 3.2 pt20 -97.15 134.93 39.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -113.33 139.26 49.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 16' ' ' GLN . 83.3 m-85 -121.38 156.01 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -97.05 108.22 20.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.83 HG12 ' HA ' ' A' ' 115' ' ' CYS . 34.7 m -144.22 172.71 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -108.02 158.11 17.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -109.84 106.25 15.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.655 HD13 HG12 ' A' ' 112' ' ' VAL . 4.9 mp -73.0 -37.05 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.12 -174.38 23.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.7 ttp -108.2 140.18 41.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.624 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -147.01 117.67 4.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.624 ' N ' HD13 ' A' ' 26' ' ' LEU . 54.1 Cg_endo -69.72 146.74 61.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -110.3 156.61 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -80.6 -34.93 34.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -129.06 150.75 76.22 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.624 0.726 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.537 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.77 -15.38 37.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 87' ' ' PHE . 16.8 m -142.91 153.74 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.68 95.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -43.14 -41.39 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -56.17 -42.21 76.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.5 m -72.72 -43.33 63.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.408 ' C ' HD23 ' A' ' 37' ' ' LEU . 10.3 tt -55.48 -43.96 76.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -70.5 -41.77 72.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.0 t -54.1 -18.26 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.96 -39.29 13.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.1 mt -52.59 -54.55 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -57.07 -50.78 71.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -39.99 -34.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.9 mt -90.74 -54.55 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.4 mtt -43.65 -44.86 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.4 p -70.18 -47.1 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.142 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.9 t -44.65 -68.42 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -105.84 176.51 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 p -93.34 165.31 12.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -66.45 -17.82 65.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -93.88 -21.36 19.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.427 ' OD1' ' C ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -69.0 -32.4 71.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.474 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 4.5 m0 -61.8 113.55 8.71 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.544 0.687 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 53' ' ' TRP . 53.2 Cg_endo -69.82 131.18 20.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.622 2.215 . . . . 0.0 112.299 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 p -64.78 128.47 35.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 m -138.93 164.52 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -99.35 123.72 43.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.5 ttm -89.5 106.22 18.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 66' ' ' THR . 2.8 m-80 -86.67 119.16 26.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.552 HG13 HG22 ' A' ' 65' ' ' VAL . 59.3 t -122.01 99.02 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.604 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -81.36 -175.77 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.636 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 8.6 t70 -49.92 -59.89 3.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.91 39.53 3.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 61' ' ' ALA . 83.5 m -156.55 151.52 26.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.552 HG22 HG13 ' A' ' 60' ' ' VAL . 84.0 t -134.8 100.3 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' ASN . 9.1 m -100.56 148.86 24.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.183 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 t -112.69 108.27 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 94.4 mt -106.61 146.14 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -79.11 160.81 26.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -75.48 -38.35 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -54.64 -58.46 7.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -118.57 174.49 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -104.0 -40.38 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -63.86 -33.42 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -50.1 112.79 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.56 ' O ' HG22 ' A' ' 76' ' ' VAL . 2.4 p -114.07 80.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 mt -48.29 -63.19 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.9 t -127.01 138.48 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -122.61 94.96 4.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.411 ' SG ' ' CB ' ' A' ' 101' ' ' MET . 29.6 t -106.13 147.58 28.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' PHE . 45.7 mtt180 -123.09 126.92 47.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' ARG . 87.7 t -33.88 -47.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -54.06 -46.77 72.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 81' ' ' ARG . 11.7 m-85 -71.66 -20.17 61.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.3 tt -57.6 113.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.1 t -81.6 -61.11 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.517 ' HB2' HG12 ' A' ' 32' ' ' VAL . 83.3 t80 -150.46 130.41 13.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.652 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.2 ptp -119.03 151.45 38.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.56 173.88 43.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.568 HG11 ' HA ' ' A' ' 94' ' ' VAL . 72.1 t -112.23 143.89 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.86 -165.34 13.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -50.16 -46.49 54.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.753 0.311 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -93.32 134.71 35.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.7 ' HB ' HD22 ' A' ' 164' ' ' LEU . 14.2 m -66.05 -12.71 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 2.6 m80 -75.22 -23.77 57.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 77.2 p -85.92 156.47 20.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -149.41 113.74 5.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.538 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -125.87 142.58 51.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -138.91 141.37 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.9 mt -101.14 115.48 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.411 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER -107.42 158.3 17.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -93.63 104.65 16.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.7 p -87.25 -37.05 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -128.9 -155.68 8.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -67.86 -56.89 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.482 ' O ' ' CZ ' ' A' ' 108' ' ' PHE . 2.0 tt0 -115.23 -37.75 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.24 131.14 46.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 6.7 m-85 -128.05 149.6 50.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -115.44 139.34 50.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 48.6 t -114.79 115.87 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 113' ' ' PHE . 54.5 m80 -100.16 127.1 46.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.655 HG12 HD13 ' A' ' 23' ' ' LEU . 46.1 t -106.79 144.84 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 51.1 m-85 -145.91 136.75 24.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -87.4 112.93 22.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.83 ' HA ' HG12 ' A' ' 20' ' ' VAL . 52.4 m -86.06 166.25 16.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 30.7 mt-10 -153.51 129.47 5.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.661 0.743 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.541 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 54.1 Cg_endo -69.76 -49.23 0.24 Allowed 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.354 0.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.98 179.42 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.17 45.57 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.58 -49.91 6.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -72.93 -36.22 67.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 94.3 t -69.41 -56.69 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.2 m -60.63 -33.61 73.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.13 -46.77 73.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.415 ' HB1' ' OE1' ' A' ' 16' ' ' GLN . . . -59.87 -52.25 66.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.4 p -63.12 -46.7 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.501 ' N ' HG13 ' A' ' 126' ' ' VAL . 51.4 tt0 -55.22 -56.81 15.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 129' ' ' ALA . . . -61.74 -45.21 94.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -34.8 -43.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 72.7 m -52.24 -55.85 18.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 55.7 p -74.48 -57.25 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 124.05 -114.33 2.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 122.24 8.94 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.272 . . . . 0.0 112.368 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.8 t -77.62 -49.3 14.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.1 p -65.34 -52.2 55.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.83 -117.06 5.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 138' ' ' GLU . 79.2 mt -96.82 125.41 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 137' ' ' ILE . 17.2 mm-40 -37.58 101.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -76.02 -110.76 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -80.78 178.64 8.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -140.85 -84.92 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.5 m -63.01 -64.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.8 m 51.15 36.87 16.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 40.76 -133.63 2.75 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.1 t 40.19 47.37 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 147' ' ' GLY . 55.0 p -38.21 -49.57 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 146' ' ' SER . . . 37.54 62.0 0.99 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 t -74.16 -44.44 53.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.866 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.6 m -151.94 146.75 25.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 122.71 63.2 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 70.1 m -82.18 132.89 35.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 12.8 p -88.25 -51.65 5.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 150.66 -120.57 1.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -89.56 49.58 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -72.11 -3.24 22.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -168.46 105.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.2 p -44.52 135.2 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 8.8 t -66.42 141.65 97.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -0.78 7.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -82.74 -29.51 29.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -88.21 -53.56 4.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.4 ttm-85 -47.49 -45.02 25.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -52.75 -51.88 58.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.7 HD22 ' HB ' ' A' ' 94' ' ' VAL . 26.9 mt -48.04 -53.8 15.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 36.3 m -51.46 -48.48 62.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -54.64 -44.49 73.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 54.2 mmm -56.35 -35.18 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -83.21 -26.89 30.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -68.54 -72.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -109.73 -44.64 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 98.65 -149.06 19.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -138.77 124.46 19.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.903 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -108.18 118.7 37.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.591 ' ND2' ' CG2' ' A' ' 176' ' ' THR . 17.8 t30 -64.67 125.45 88.78 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.7 2.267 . . . . 0.0 112.392 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.591 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 2.6 t -38.26 -35.4 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -104.07 127.82 51.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -133.86 53.88 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -118.1 96.57 5.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -111.1 179.43 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -112.81 57.5 0.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -54.6 -15.7 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.92 95.82 3.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -103.66 149.92 24.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 34.5 t30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -107.83 -47.01 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m -59.09 129.9 44.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.92 124.39 0.75 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -121.95 -54.12 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.7 p -53.26 -51.27 62.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.24 75.53 0.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 101.72 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.697 2.265 . . . . 0.0 112.375 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.406 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 16.5 m -104.18 93.61 5.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 9' ' ' THR . 53.8 Cg_endo -69.77 85.68 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -38.4 154.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 t -136.42 143.43 43.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.04 171.79 9.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -55.22 104.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.635 HG23 ' HA ' ' A' ' 61' ' ' ALA . 14.2 p -111.89 146.53 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.568 ' HG2' ' CZ ' ' A' ' 18' ' ' PHE . 1.9 tt0 -102.88 137.89 40.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -119.06 131.64 55.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 16' ' ' GLN . 16.4 m-85 -108.41 161.21 15.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -96.24 110.06 22.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 115' ' ' CYS . 22.5 m -145.81 173.52 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -107.34 166.36 10.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -117.22 116.28 26.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.902 HD13 HG12 ' A' ' 112' ' ' VAL . 5.5 mp -81.97 -43.05 18.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.67 -167.54 29.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.509 ' O ' HD21 ' A' ' 44' ' ' LEU . 16.0 ttp -116.8 141.19 48.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.532 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -145.33 117.12 5.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.915 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 138.33 37.55 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.3 m -109.09 147.44 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -78.32 -38.06 43.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -113.74 144.46 31.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.588 0.708 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -24.68 29.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.467 HG12 ' HB2' ' A' ' 87' ' ' PHE . 24.0 m -133.9 172.93 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.72 100.17 2.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.442 ' CE ' ' HA ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -45.72 -40.37 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.755 0.312 . . . . 0.0 110.851 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -54.66 -35.26 63.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.9 m -78.64 -45.17 22.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 98' ' ' ALA . 8.4 tt -56.94 -50.05 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.455 ' HA ' HD12 ' A' ' 41' ' ' ILE . 75.1 m-20 -58.65 -42.58 88.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 t -56.0 -15.61 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -92.68 -38.07 12.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 38' ' ' ASN . 51.8 mt -59.67 -61.83 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -51.33 -45.84 62.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.419 HD22 HD11 ' A' ' 26' ' ' LEU . 77.1 m-20 -43.98 -42.61 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.509 HD21 ' O ' ' A' ' 25' ' ' MET . 13.8 mt -82.17 -49.2 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 mtt -47.07 -31.83 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.3 p -79.0 -47.06 16.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.7 t -53.2 -55.63 22.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.7 m -111.52 164.54 12.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.1 m -96.75 166.25 11.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 30.7 tttm -56.5 -44.09 80.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.954 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.76 -24.66 60.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.31 -27.26 67.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.475 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 8.5 m0 -70.12 113.73 20.02 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.544 0.687 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 135.66 31.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.4 m -71.19 125.95 28.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.3 m -135.71 172.23 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -103.83 123.69 47.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.6 tpp -94.1 107.7 19.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -94.38 127.65 40.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.635 HG13 HG22 ' A' ' 65' ' ' VAL . 84.0 t -127.99 98.43 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.635 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -75.93 -178.47 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.627 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 18.5 t0 -43.7 -59.93 2.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.15 33.33 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ALA . 27.7 m -145.71 150.39 36.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 60' ' ' VAL . 86.4 t -134.73 99.95 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -101.82 141.99 33.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.452 HG12 ' HB2' ' A' ' 77' ' ' LEU . 74.2 t -108.91 103.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.158 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.9 mt -101.94 150.38 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.7 t -76.21 169.76 17.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -86.31 -43.66 12.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -60.97 -52.98 62.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -105.7 168.16 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -114.48 -35.13 5.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -77.45 -12.25 59.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -69.64 118.0 11.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.1 t -104.45 79.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.452 ' HB2' HG12 ' A' ' 67' ' ' VAL . 68.3 mt -45.84 -64.62 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.412 HG11 ' CD2' ' A' ' 111' ' ' HIS . 85.8 t -136.26 126.79 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -104.31 101.6 11.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.7 t -113.08 144.96 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -119.66 136.3 54.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.488 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 20.3 t -62.03 -20.29 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -75.21 -21.75 58.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 85' ' ' LEU . 30.6 m-85 -97.39 -39.92 8.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.4 tt -37.27 114.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.9 p -82.76 -45.67 14.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.467 ' HB2' HG12 ' A' ' 32' ' ' VAL . 64.1 t80 -156.25 149.08 23.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.411 ' HB3' HD21 ' A' ' 85' ' ' LEU . 14.8 ptp -134.73 158.32 44.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.22 -176.35 39.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.537 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.707 HG11 ' HA ' ' A' ' 94' ' ' VAL . 59.4 t -128.07 141.04 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 111.163 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.415 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . -68.14 -180.0 18.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.12 -31.43 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -104.46 118.21 36.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.707 ' HA ' HG11 ' A' ' 90' ' ' VAL . 2.4 m -51.68 -29.29 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -55.74 -33.57 64.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.411 ' O ' HG13 ' A' ' 90' ' ' VAL . 29.8 p -81.76 162.35 22.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -158.41 113.17 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.653 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -126.57 148.1 49.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.142 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -137.6 148.53 45.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.3 mt -103.7 124.59 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 16.7 ptm -121.04 164.19 17.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 102' ' ' ASP . 0.4 OUTLIER -109.27 111.35 22.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.6 p -98.79 -35.67 10.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.21 -124.65 4.77 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.439 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -108.55 -64.85 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.567 ' O ' ' CZ ' ' A' ' 108' ' ' PHE . 7.4 tp-100 -103.48 -39.9 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.03 132.65 47.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.567 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 5.9 m-85 -125.47 144.45 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -108.65 138.44 44.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.3 t -121.22 116.81 25.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.412 ' CD2' HG11 ' A' ' 78' ' ' VAL . 94.3 m-70 -94.8 148.5 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.902 HG12 HD13 ' A' ' 23' ' ' LEU . 41.7 t -124.66 135.89 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -139.38 136.03 34.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -85.51 112.86 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.581 ' HA ' HG12 ' A' ' 20' ' ' VAL . 83.9 m -84.15 159.67 21.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.5 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 52.9 mt-10 -145.81 128.63 8.12 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.601 0.715 . . . . 0.0 110.852 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 54.1 Cg_endo -69.75 -45.66 0.41 Allowed 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.325 -0.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -127.92 -179.23 4.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.99 51.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.074 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.01 -61.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -69.93 -57.67 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.9 t -42.23 -57.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.555 ' HB2' ' HE1' ' A' ' 163' ' ' HIS . 70.4 m -65.21 -25.0 67.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -76.3 -31.39 58.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.83 -43.98 28.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.54 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.0 p -65.02 -50.11 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.54 ' N ' HG13 ' A' ' 126' ' ' VAL . 8.3 pt20 -61.79 -39.57 92.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.78 -38.93 76.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.627 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -50.33 -38.77 43.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.421 ' SG ' ' CG1' ' A' ' 82' ' ' VAL . 84.1 m -59.07 -53.02 63.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 132' ' ' GLY . 1.1 t -100.28 37.3 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 131' ' ' SER . . . 34.45 -97.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.507 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 131' ' ' SER . 53.3 Cg_endo -69.77 147.66 63.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.6 m -111.05 171.92 7.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 34.5 t -54.66 140.83 34.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 109.17 93.37 2.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 43.3 mm -107.09 134.09 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 111.177 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -80.09 83.72 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -114.5 -165.93 15.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -49.03 163.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 164.63 84.15 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.447 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.3 m -99.49 168.71 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.1 m -153.54 173.74 15.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -168.46 47.69 0.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.5 p -115.99 166.1 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.909 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 28.4 t -59.87 -48.84 80.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 160.68 -130.12 2.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 24.4 m -157.62 172.62 18.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 0.0 110.818 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 69.3 p -143.21 175.56 9.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.824 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -115.47 136.52 13.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 55.6 p -172.49 168.77 5.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 52.7 p -46.18 142.89 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -163.67 177.35 39.57 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.443 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.17 153.3 42.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.97 146.02 51.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -126.55 92.2 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.74 130.94 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 14.5 t -57.79 141.41 80.12 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.602 0.715 . . . . 0.0 111.154 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 3.52 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.74 2.293 . . . . 0.0 112.366 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -82.56 -64.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -54.33 -45.57 72.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -47.47 -30.02 3.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' HIS . . . . . 0.555 ' HE1' ' HB2' ' A' ' 123' ' ' SER . 1.8 t-80 -79.59 -57.82 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.826 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 89.7 mt -42.5 -43.54 3.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 168' ' ' GLN . 11.4 m -62.14 -64.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 165' ' ' SER . 29.4 mtpt -38.3 -39.04 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 15.8 mmm -65.7 -41.52 92.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 165' ' ' SER . 44.6 mt-30 -78.6 -21.97 47.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -76.38 -75.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.96 -32.0 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 90.76 -149.96 20.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -144.18 120.16 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.929 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -100.16 115.63 30.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 50.4 t30 -64.3 120.48 65.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.628 0.728 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -45.22 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -39.81 21.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -124.84 101.99 7.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -123.34 52.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 180' ' ' PHE . 13.0 t80 -38.78 -62.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 179' ' ' PHE . 49.2 p90 -48.6 178.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -134.79 72.14 1.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -121.46 -39.3 2.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 2.2 mmt -126.7 141.68 51.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -112.44 149.1 33.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -120.61 169.33 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.845 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -123.55 -50.27 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.01 129.5 2.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 t -172.63 118.81 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -147.78 151.18 35.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.22 107.61 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 111.52 2.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.683 2.256 . . . . 0.0 112.316 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.1 p -130.72 85.35 55.94 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.622 0.725 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 107.5 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -114.53 114.8 26.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 m -62.47 95.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -99.32 153.0 19.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.544 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.6 OUTLIER -94.52 121.99 36.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.544 ' N ' HD13 ' A' ' 14' ' ' LEU . 11.0 p -128.66 149.02 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -119.87 124.48 46.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -97.34 149.79 21.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -133.28 139.37 46.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -79.91 110.59 15.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -143.31 -176.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -117.35 165.07 13.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -113.59 117.3 31.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -83.55 -43.18 15.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.701 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 149.09 -178.55 26.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.1 ttp -116.74 125.24 51.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.547 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -128.83 117.42 19.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.547 ' N ' HD13 ' A' ' 26' ' ' LEU . 54.0 Cg_endo -69.83 140.14 41.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 m -110.3 -176.79 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.6 -42.16 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 -103.94 143.02 25.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.59 0.71 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -23.64 30.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.318 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.38 169.48 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.21 104.79 2.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.5 mmt -51.56 -41.55 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.59 -29.5 11.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.9 m -88.61 -45.53 9.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.602 HD21 ' HB3' ' A' ' 98' ' ' ALA . 8.7 tt -57.29 -52.24 66.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.509 ' HA ' HD12 ' A' ' 41' ' ' ILE . 2.8 m-80 -59.0 -45.16 91.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.1 t -52.18 -20.06 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -87.55 -34.07 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 38' ' ' ASN . 51.6 mt -62.28 -56.49 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 46' ' ' THR . 13.1 mt-10 -52.25 -45.95 65.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -44.26 -49.22 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.701 HD22 ' HA3' ' A' ' 24' ' ' GLY . 9.5 mt -76.05 -53.99 7.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.431 ' HG3' HG22 ' A' ' 41' ' ' ILE . 3.1 mtt -41.89 -43.8 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 42' ' ' GLU . 68.8 p -73.06 -30.82 63.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' LEU . 2.8 t -68.54 -64.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.0 m -101.62 157.76 16.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.6 m -94.53 161.29 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.433 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 23.1 tttt -48.55 -45.44 37.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.9 -38.32 73.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -54.06 -35.71 62.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.433 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 11.3 m0 -62.19 113.39 8.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.499 0.666 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.54 40.48 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.734 2.289 . . . . 0.0 112.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.1 m -73.13 124.01 24.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.4 m -132.98 167.72 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -104.26 120.58 41.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.41 ' HE1' ' CD1' ' A' ' 113' ' ' PHE . 44.4 ttm -90.15 98.54 11.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -84.55 109.84 18.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.532 HG13 HG22 ' A' ' 65' ' ' VAL . 90.7 t -109.81 98.64 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.454 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -76.83 -176.99 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.86 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 12.5 t70 -49.89 -60.96 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.64 37.21 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.532 HG23 ' HG3' ' A' ' 81' ' ' ARG . 93.2 m -155.44 150.38 26.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.532 HG22 HG13 ' A' ' 60' ' ' VAL . 95.1 t -133.81 103.25 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 m -105.6 143.43 33.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.95 118.29 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.5 mt -112.54 147.54 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.7 t -81.59 118.83 23.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -38.71 -35.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -70.39 -65.55 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' HB3' ' CB ' ' A' ' 75' ' ' GLU . 49.2 t-20 -98.94 132.79 44.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -38.93 35.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -78.8 -0.48 30.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.439 ' CB ' ' HB3' ' A' ' 72' ' ' ASN . 19.2 tt0 -85.46 107.26 17.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.2 t -99.26 96.21 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 66.0 mt -62.84 -43.56 98.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.421 HG11 ' CE1' ' A' ' 111' ' ' HIS . 95.8 t -152.12 129.88 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.065 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -108.63 95.81 5.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 t -101.76 148.11 25.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.532 ' HG3' HG23 ' A' ' 64' ' ' THR . 0.4 OUTLIER -131.13 119.81 22.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.852 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.62 HG11 ' HA ' ' A' ' 130' ' ' CYS . 58.9 t -34.15 -59.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.456 ' HA ' HG21 ' A' ' 176' ' ' THR . 49.3 mtp85 -39.42 -49.78 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 85' ' ' LEU . 14.8 m-85 -70.01 -39.94 75.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.751 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.2 tt -37.72 116.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.7 p -81.83 -58.93 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -151.01 130.54 12.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.751 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.6 ptp -120.35 148.73 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.66 -170.4 29.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 96' ' ' THR . 79.5 t -128.56 143.75 40.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -72.11 -171.39 16.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -50.44 -43.5 55.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.4 122.58 38.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.538 ' HA ' HG11 ' A' ' 90' ' ' VAL . 12.1 m -55.19 -26.76 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -58.31 -23.31 56.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.556 ' O ' HG13 ' A' ' 90' ' ' VAL . 62.4 p -95.2 158.86 15.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -155.72 114.25 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.602 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -126.44 148.25 49.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.463 ' O ' ' CD1' ' A' ' 99' ' ' PHE . 5.7 p90 -139.18 142.89 37.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.6 mt -100.65 125.82 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.3 ptm -123.05 168.93 11.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -105.99 113.1 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.5 p -107.73 43.14 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.18 -130.38 7.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 107' ' ' ARG . 2.8 m-20 -55.19 -174.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.516 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -46.61 -20.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 105' ' ' ASN . 7.5 ptt85 -61.24 121.23 12.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.516 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 5.9 m-85 -119.45 139.63 51.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -106.4 137.21 44.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.9 t -112.28 110.78 21.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.421 ' CE1' HG11 ' A' ' 78' ' ' VAL . 39.0 m-70 -93.92 134.04 36.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.2 t -113.29 142.07 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.41 ' CD1' ' HE1' ' A' ' 58' ' ' MET . 18.1 m-85 -144.03 130.48 19.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.431 ' HZ3' ' HE1' ' A' ' 45' ' ' MET . 44.7 t-105 -80.24 124.26 28.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.552 ' SG ' HG21 ' A' ' 122' ' ' VAL . 90.9 m -99.44 159.4 15.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.466 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 30.0 mt-10 -146.65 126.21 6.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.667 0.746 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.3 Cg_endo -69.71 -48.02 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.753 -1.769 . . . . 0.0 112.341 -0.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.407 ' ND2' ' HG2' ' A' ' 117' ' ' PRO . 0.2 OUTLIER -121.94 179.14 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.505 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -98.96 46.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -80.5 -57.05 3.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -66.67 -36.04 81.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.552 HG21 ' SG ' ' A' ' 115' ' ' CYS . 89.4 t -66.6 -44.33 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.8 p -77.94 -21.96 50.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -79.42 -42.73 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.89 -48.32 71.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 127' ' ' GLN . 11.0 p -65.71 -46.24 89.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.526 ' N ' HG13 ' A' ' 126' ' ' VAL . 7.5 tt0 -59.74 -49.93 75.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.72 -41.84 87.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.86 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -43.73 -43.16 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.62 ' HA ' HG11 ' A' ' 82' ' ' VAL . 77.9 m -44.8 -51.77 9.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 132' ' ' GLY . 1.1 t -100.9 40.87 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 131' ' ' SER . . . 33.51 -96.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.435 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 131' ' ' SER . 53.7 Cg_endo -69.77 158.64 56.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.234 . . . . 0.0 112.388 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.7 m -142.15 155.17 45.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 22.1 m -152.99 115.41 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -156.44 144.84 11.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.3 mm -117.59 143.03 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 139' ' ' GLY . 1.2 pm0 -89.5 -34.52 16.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 138' ' ' GLU . . . 102.48 141.1 11.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.528 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -63.96 -61.74 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 178.98 170.52 41.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 53.1 p -122.97 -57.54 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.2 t 45.82 42.47 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -50.66 132.63 31.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 37.6 t -58.24 -52.42 65.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.928 0.395 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 87.3 p -72.28 110.77 6.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 143.87 138.74 3.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 23.1 t -105.36 101.65 11.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.363 . . . . 0.0 110.851 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.9 t -172.7 144.43 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 99.96 -75.44 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.54 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.7 p -50.87 -51.11 54.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 23.1 t -86.26 -56.29 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -108.09 127.32 8.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.535 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.08 125.32 47.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.811 0.339 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -162.02 144.49 11.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -172.67 113.37 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.423 ' CG2' ' CD ' ' A' ' 161' ' ' GLU . 8.7 p -88.43 139.13 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 5.7 t -65.35 142.72 98.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.582 0.706 . . . . 0.0 111.164 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 0.5 5.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.34 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -79.73 -52.08 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.423 ' CD ' ' CG2' ' A' ' 157' ' ' VAL . 13.7 pt-20 -70.71 -43.38 69.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -46.77 -53.13 12.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -59.27 -48.53 81.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.505 HD21 ' C ' ' A' ' 119' ' ' ALA . 8.3 mt -51.19 -43.59 61.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 32.2 m -52.47 -46.43 66.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -56.94 -43.62 81.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 87.3 mmm -58.12 -50.65 72.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -71.32 -13.0 61.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -82.11 -72.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -107.13 -23.58 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 72.84 -169.16 52.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -125.51 124.46 41.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.912 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -105.33 116.49 32.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.487 ' CG ' HG22 ' A' ' 176' ' ' THR . 25.2 t30 -58.67 118.8 31.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -37.21 9.62 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.363 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.487 HG22 ' CG ' ' A' ' 174' ' ' ASN . 10.7 t -56.2 -26.95 52.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -111.44 71.49 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -100.98 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -50.75 -44.44 58.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.462 ' HE1' HE21 ' A' ' 182' ' ' GLN . 1.2 p90 -70.51 164.8 24.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -106.03 55.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 183' ' ' MET . 4.7 pt20 -54.27 -41.73 69.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 183' ' ' MET . . . . . 0.477 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 3.3 tpp -84.38 143.17 29.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -100.16 135.62 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -109.27 150.68 27.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.898 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -86.7 128.1 34.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.804 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.85 -115.08 3.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.5 p -129.9 111.32 12.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -162.83 165.98 24.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.72 -164.15 22.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 4.51 2.11 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.731 2.288 . . . . 0.0 112.369 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.5 t -140.13 141.13 25.57 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.568 0.699 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 176.52 6.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.231 . . . . 0.0 112.348 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -112.34 82.02 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.771 ' O ' HG23 ' A' ' 12' ' ' THR . 1.2 t -86.78 32.18 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -101.22 145.12 29.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.62 103.35 13.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.549 HG23 ' N ' ' A' ' 61' ' ' ALA . 13.1 p -108.68 141.63 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -96.43 139.88 31.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 149.14 32.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -132.44 136.92 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 tpp85 -75.08 114.01 13.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 m -146.45 172.15 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -110.6 159.19 17.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -110.17 110.27 21.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.994 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 5.4 mp -77.65 -41.84 36.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.09 -178.16 28.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.7 ttp -109.32 139.74 43.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.644 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -142.2 117.38 6.79 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 0.0 110.87 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.439 ' HD2' HD13 ' A' ' 26' ' ' LEU . 54.0 Cg_endo -69.78 155.13 66.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.236 . . . . 0.0 112.397 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 m -135.72 153.04 32.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -104.61 -9.93 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -115.64 135.75 22.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -30.06 22.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.228 . . . . 0.0 112.339 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.4 m -138.99 -175.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.06 105.63 2.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 67.1 mmm -52.25 -29.39 22.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.01 -33.85 76.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.0 m -82.92 -41.66 18.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' C ' HD23 ' A' ' 37' ' ' LEU . 9.9 tt -62.32 -43.78 98.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -72.88 -41.04 65.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 t -53.15 -20.8 4.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -87.24 -33.79 19.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.072 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mt -55.52 -64.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 44' ' ' LEU . 3.3 mm-40 -48.57 -57.98 5.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' GLU . 33.3 m-20 -35.39 -34.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' GLU . 22.8 mt -85.82 -54.55 4.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.4 mtp -46.19 -46.33 17.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 42' ' ' GLU . 8.8 t -63.94 -24.72 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 t -77.11 -52.04 9.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.0 m -121.09 144.16 48.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 m -75.31 170.77 15.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 68.8 tttt -59.23 -45.37 91.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -74.43 -22.0 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.08 -20.53 62.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.544 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.4 m0 -78.83 120.85 82.37 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 160.82 48.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.298 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.4 p -93.66 127.62 39.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.68 HG11 ' CD1' ' A' ' 77' ' ' LEU . 25.4 m -135.61 161.4 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -100.68 116.95 33.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.9 ttm -88.32 98.47 11.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -86.16 119.5 26.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.506 HG13 HG22 ' A' ' 65' ' ' VAL . 88.9 t -117.23 99.76 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.549 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -76.12 -176.85 3.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -40.4 -66.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.64 29.46 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 61' ' ' ALA . 9.9 m -139.41 148.54 42.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.506 HG22 HG13 ' A' ' 60' ' ' VAL . 77.5 t -129.56 102.2 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.475 ' CG2' HG13 ' A' ' 76' ' ' VAL . 1.6 m -108.56 135.69 49.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.501 HG12 ' HB2' ' A' ' 77' ' ' LEU . 90.5 t -103.62 112.82 38.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.7 mt -109.14 137.24 42.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.5 t -58.19 144.27 41.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -64.1 -32.18 73.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -70.22 -72.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.46 163.81 16.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 1.2 pm0 -114.29 14.03 17.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -127.65 -0.39 6.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -90.71 94.8 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.475 HG13 ' CG2' ' A' ' 66' ' ' THR . 40.4 t -76.2 90.07 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.68 ' CD1' HG11 ' A' ' 56' ' ' VAL . 62.5 mt -53.29 -50.88 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.8 t -145.26 129.5 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' O ' ' HE1' ' A' ' 101' ' ' MET . 17.8 tt0 -105.53 95.87 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 8.8 t -111.61 145.36 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.481 ' HD3' ' CE1' ' A' ' 84' ' ' PHE . 13.9 ttt180 -116.4 121.47 42.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.5 t -42.01 -39.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -68.19 -38.16 81.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.481 ' CE1' ' HD3' ' A' ' 81' ' ' ARG . 3.3 m-85 -74.42 -18.01 60.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.543 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.8 tt -59.32 114.3 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.4 t -77.18 -47.19 20.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.682 ' HB2' HG12 ' A' ' 32' ' ' VAL . 87.9 t80 -164.11 141.87 7.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.543 ' HB3' HD21 ' A' ' 85' ' ' LEU . 6.4 ptp -130.11 160.8 32.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.4 -175.78 39.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 91' ' ' GLY . 23.2 t -128.59 139.62 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.383 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.462 ' O ' HG12 ' A' ' 90' ' ' VAL . . . -64.64 -179.53 6.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -45.99 -38.47 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.747 0.308 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.94 156.12 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.655 HG12 ' HB3' ' A' ' 164' ' ' LEU . 35.4 m -90.39 7.81 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -96.03 -14.77 22.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 78.5 p -104.2 148.66 26.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.464 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 21.2 t80 -145.91 115.2 7.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -123.37 148.77 45.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 99' ' ' PHE . 3.5 p90 -139.09 150.77 46.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.3 mt -110.42 123.81 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.431 ' HE1' ' O ' ' A' ' 79' ' ' GLU . 7.2 ptm -112.94 161.49 16.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -102.58 104.65 15.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.6 p -96.24 -29.58 13.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -130.09 -157.73 9.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -73.16 -54.53 8.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -118.02 -37.59 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 107' ' ' ARG . 2.6 ptp180 -67.14 127.19 31.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -124.32 159.8 29.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -114.16 144.1 43.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.2 t -122.76 116.08 23.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -109.18 142.39 40.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.9 t -120.02 146.0 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -144.96 129.71 18.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -81.53 116.26 21.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.466 ' SG ' HG21 ' A' ' 122' ' ' VAL . 61.4 m -96.0 146.98 24.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.502 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.8 mm-40 -129.44 127.98 23.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.578 0.704 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.7 Cg_endo -69.74 -47.96 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.354 -0.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -124.35 176.36 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -93.89 40.22 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.685 ' HB2' HD21 ' A' ' 164' ' ' LEU . . . -79.86 -54.61 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -72.99 -18.82 61.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.466 HG21 ' SG ' ' A' ' 115' ' ' CYS . 39.7 t -81.87 -45.09 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.416 ' HA ' HG12 ' A' ' 126' ' ' VAL . 1.9 m -72.92 -32.18 65.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 5.7 pt-20 -65.24 -43.09 92.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 124' ' ' GLU . . . -63.45 -47.28 82.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 123' ' ' SER . 7.5 p -71.65 -37.4 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -59.03 -49.22 78.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.81 -37.62 76.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -45.41 -36.08 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 72.9 m -51.85 -43.65 63.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.7 m -120.6 47.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.59 -160.08 33.53 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.59 37.71 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.307 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 21.5 m -128.72 166.2 19.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.0 t -125.16 152.05 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 167.88 -167.91 40.38 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 4.9 mm -100.13 122.49 52.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.755 0.312 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -113.23 177.92 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -133.59 89.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -102.38 61.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -114.41 125.75 6.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.5 t -98.75 138.31 36.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.815 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 68.3 m -122.98 146.87 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -134.06 131.86 6.16 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.9 p -173.47 142.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 30.5 p -139.38 112.59 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 138.57 97.63 0.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 46.3 m -156.58 120.97 4.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.91 0.386 . . . . 0.0 110.817 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.0 m -69.57 -54.13 15.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 170.7 96.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 18.3 t -119.17 104.65 10.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 59.3 m -146.0 134.14 21.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 154' ' ' ASP . . . 164.54 -69.57 0.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 153' ' ' GLY . 46.5 m-20 -35.77 133.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -102.62 136.42 42.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -159.82 108.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 15.3 t -64.68 115.39 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.557 HG23 ' H ' ' A' ' 161' ' ' GLU . 14.9 t -63.34 141.04 97.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.4 2.8 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -89.43 -42.58 11.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.557 ' H ' HG23 ' A' ' 158' ' ' THR . 10.2 mm-40 -65.06 -46.66 80.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 34.6 ptt85 -41.41 -34.63 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -76.29 -55.52 5.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -42.32 -54.75 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.963 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 169' ' ' GLN . 80.5 p -39.55 -58.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.04 -42.41 18.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 47.2 mmm -65.26 -47.01 78.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -82.41 -4.73 57.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 165' ' ' SER . 21.3 mt-30 -94.51 -68.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -107.93 -29.78 8.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 84.62 -158.15 33.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.464 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' TYR . . . . . 0.44 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 32.9 t80 -139.62 126.94 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -105.78 120.02 40.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -67.61 118.19 54.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.66 0.743 . . . . 0.0 110.828 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.79 10.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.622 2.215 . . . . 0.0 112.387 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 177' ' ' TYR . 2.7 t -48.87 -39.74 26.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' TYR . . . . . 0.405 ' N ' ' CG2' ' A' ' 176' ' ' THR . 0.5 OUTLIER -103.55 60.33 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 16.8 tttm -108.55 104.95 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -128.9 101.34 6.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -120.02 -178.96 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -132.79 63.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -115.85 75.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 12.1 mtm -119.32 105.8 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -102.95 162.56 12.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 4.5 m120 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -100.52 162.36 12.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.383 . . . . 0.0 110.829 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 m -151.42 118.9 6.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.75 -40.76 0.67 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 t -46.68 98.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 m -139.43 137.57 35.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . -161.25 93.71 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 9' ' ' THR . 53.4 Cg_endo -69.81 134.77 28.66 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 8' ' ' PRO . 8.6 m -35.76 129.36 0.59 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.594 0.712 . . . . 0.0 111.117 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 115.21 3.99 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -132.39 150.38 52.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.0 p -113.15 94.51 4.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -105.12 151.22 24.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 110.95 2.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 61' ' ' ALA . 7.7 p -121.53 142.36 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -112.41 128.17 56.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -99.71 148.72 24.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -132.12 141.84 49.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' NH1' ' OE2' ' A' ' 116' ' ' GLU . 3.8 tmm_? -79.38 114.74 18.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.615 HG12 ' HA ' ' A' ' 115' ' ' CYS . 34.6 m -150.66 178.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -116.77 164.88 13.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -116.7 116.4 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.074 HD13 HG12 ' A' ' 112' ' ' VAL . 5.3 mp -80.89 -36.18 31.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.37 -172.43 24.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.449 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.0 ttp -115.48 138.72 50.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.799 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -141.13 121.6 8.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 110.954 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.557 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.9 Cg_endo -69.69 141.56 45.87 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.388 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.527 ' HB ' HG22 ' A' ' 36' ' ' THR . 34.4 m -115.95 158.93 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.71 -41.48 12.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.516 ' H ' HG21 ' A' ' 36' ' ' THR . 75.2 mtt180 -115.33 145.09 33.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -36.14 11.26 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.468 HG12 ' HB2' ' A' ' 87' ' ' PHE . 30.7 m -118.6 153.69 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.63 101.78 1.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.496 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 2.4 mmt -44.2 -40.19 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -54.23 -37.22 64.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.527 HG22 ' HB ' ' A' ' 28' ' ' VAL . 25.2 m -79.24 -43.99 22.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.951 HD21 ' HB3' ' A' ' 98' ' ' ALA . 10.3 tt -59.97 -58.32 9.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 34' ' ' MET . 63.6 m-80 -56.81 -47.66 79.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 t -39.36 -27.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.799 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -82.47 -41.52 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 38' ' ' ASN . 75.7 mt -46.36 -60.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -55.8 -51.66 66.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -41.71 -38.22 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mt -83.24 -54.35 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.7 mtt -46.79 -35.35 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 p -66.17 -53.28 39.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.8 t -63.56 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 p -95.88 142.8 27.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -96.58 164.9 12.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 34.1 tttm -41.79 -47.37 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -70.27 -33.09 71.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.24 -29.47 67.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 2.4 m0 -77.03 114.36 38.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.621 0.724 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 160.83 48.25 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.645 2.23 . . . . 0.0 112.324 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 m -91.42 122.79 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.662 HG11 HD11 ' A' ' 77' ' ' LEU . 31.4 m -136.64 165.53 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -101.35 125.06 47.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.419 ' HB2' ' HE2' ' A' ' 58' ' ' MET . 27.3 ttm -90.67 101.56 14.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -85.66 106.14 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.509 HG13 HG22 ' A' ' 65' ' ' VAL . 94.8 t -106.94 100.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.507 ' HB3' ' HB ' ' A' ' 64' ' ' THR . . . -79.8 177.79 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.412 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 5.7 t70 -47.69 -58.27 4.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.09 40.89 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.507 ' HB ' ' HB3' ' A' ' 61' ' ' ALA . 88.3 m -158.1 149.14 20.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.509 HG22 HG13 ' A' ' 60' ' ' VAL . 98.3 t -134.43 98.92 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.9 m -105.81 151.15 24.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.606 HG12 HD12 ' A' ' 77' ' ' LEU . 86.0 t -114.24 116.32 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.4 mt -114.97 148.33 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -71.42 168.8 16.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -84.8 -40.12 17.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 72' ' ' ASN . 0.1 OUTLIER -71.16 -44.88 64.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.469 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 59.9 m-20 -106.35 165.65 11.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -112.53 -39.98 4.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -72.28 -34.56 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -48.74 105.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.664 ' O ' HG22 ' A' ' 76' ' ' VAL . 1.1 p -98.86 84.51 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.662 HD11 HG11 ' A' ' 56' ' ' VAL . 71.6 mt -47.52 -56.43 7.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.449 HG21 ' CD2' ' A' ' 111' ' ' HIS . 78.7 t -141.63 132.53 26.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -113.56 96.4 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.0 t -107.8 145.0 34.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 82' ' ' VAL . 1.1 mpt_? -118.37 127.69 53.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.602 HG11 ' HA ' ' A' ' 130' ' ' CYS . 89.4 t -36.71 -48.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -49.8 -46.12 50.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 81' ' ' ARG . 11.4 m-85 -67.75 -34.41 76.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.4 tt -47.7 112.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.3 p -86.69 -38.94 16.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.468 ' HB2' HG12 ' A' ' 32' ' ' VAL . 66.0 t80 -166.74 136.44 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.606 ' HB3' HD21 ' A' ' 85' ' ' LEU . 8.2 ptp -125.68 150.26 47.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -163.82 -171.87 30.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.575 HG11 ' HA ' ' A' ' 94' ' ' VAL . 71.9 t -126.7 143.67 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.147 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -77.32 177.86 52.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -37.54 -47.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.73 0.3 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -91.82 122.35 34.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.815 ' HB ' HD22 ' A' ' 164' ' ' LEU . 16.1 m -55.05 -21.41 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 2.4 m80 -67.19 -24.83 65.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.571 ' O ' HG13 ' A' ' 90' ' ' VAL . 59.0 p -87.63 152.47 22.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -145.02 115.42 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.951 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -125.93 150.18 48.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -151.4 140.41 21.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.606 ' CD1' HD12 ' A' ' 37' ' ' LEU . 5.0 mp -96.37 130.81 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.6 ptm -118.87 148.39 42.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.03 109.69 21.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 80.0 p -86.15 -14.48 43.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 105' ' ' ASN . . . 158.19 -100.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 104' ' ' GLY . 2.2 m120 -51.99 -172.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -70.1 4.43 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -93.81 99.19 11.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -105.23 145.17 31.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -107.32 149.08 28.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 41.9 t -121.79 110.88 16.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.484 ' HB3' ' CE1' ' A' ' 113' ' ' PHE . 80.3 m80 -91.83 133.6 35.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 1.074 HG12 HD13 ' A' ' 23' ' ' LEU . 66.6 t -113.16 135.36 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 15.7 m-85 -136.44 133.95 37.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.418 ' CE3' HG22 ' A' ' 96' ' ' THR . 51.2 t-105 -87.33 122.83 31.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.615 ' HA ' HG12 ' A' ' 20' ' ' VAL . 81.8 m -98.61 161.99 13.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 44.0 mt-10 -146.21 129.11 8.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 110.879 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.581 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 53.9 Cg_endo -69.79 -49.08 0.24 Allowed 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.338 0.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.409 ' HB2' HD11 ' A' ' 164' ' ' LEU . 1.0 OUTLIER -117.16 -178.61 3.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.56 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -101.97 38.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.6 -57.1 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.26 -48.58 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.45 -64.45 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.1 m -50.41 -38.43 42.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.38 -43.12 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.6 -47.59 83.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.577 HG13 ' N ' ' A' ' 127' ' ' GLN . 11.8 p -67.78 -49.01 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.577 ' N ' HG13 ' A' ' 126' ' ' VAL . 22.7 tt0 -51.51 -48.47 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 129' ' ' ALA . . . -68.36 -42.14 79.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -38.03 -45.61 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.602 ' HA ' HG11 ' A' ' 82' ' ' VAL . 65.8 m -49.86 -51.2 42.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.5 t -113.04 36.25 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.82 150.88 2.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 134' ' ' SER . 52.9 Cg_endo -69.83 1.81 4.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.624 2.216 . . . . 0.0 112.35 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 133' ' ' PRO . 30.2 t -35.51 -48.54 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 87.1 p -78.02 89.92 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -103.06 -104.18 2.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.533 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 75.4 mt -117.66 144.76 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 0.0 111.188 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.52 177.13 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -136.32 95.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 140' ' ' ARG . 0.3 OUTLIER -61.55 -63.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.867 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 95.7 93.54 1.76 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.5 m -39.96 146.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 77.7 p -102.82 -52.11 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 123.32 -178.99 16.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.8 m -78.33 151.15 33.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 46.6 p -102.14 -53.29 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -156.66 -165.55 14.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 149' ' ' SER . 4.2 m -83.02 165.66 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.36 . . . . 0.0 110.869 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 148' ' ' SER . 11.5 m 35.24 42.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 151' ' ' SER . . . -83.11 -164.79 36.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 150' ' ' GLY . 35.3 m -35.1 121.89 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.7 m -104.52 -47.41 4.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -94.32 48.77 2.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -39.06 154.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -144.4 135.65 25.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -169.67 113.15 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 158' ' ' THR . 14.7 p -84.52 155.88 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.656 HG23 ' HG3' ' A' ' 161' ' ' GLU . 0.5 OUTLIER -76.38 146.05 77.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 111.153 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -23.37 31.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.453 ' O ' HD12 ' A' ' 164' ' ' LEU . 7.1 pt-20 -60.26 -40.53 90.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.656 ' HG3' HG23 ' A' ' 158' ' ' THR . 15.0 mt-10 -71.53 -59.53 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 161' ' ' GLU . 26.1 ttt180 -35.77 -54.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -62.27 -59.06 5.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.815 HD22 ' HB ' ' A' ' 94' ' ' VAL . 8.4 mt -39.58 -55.78 1.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.418 ' O ' ' CG ' ' A' ' 168' ' ' GLN . 1.8 m -53.41 -51.32 62.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -49.02 -44.15 41.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 87.2 mmm -53.91 -53.86 46.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 165' ' ' SER . 3.4 pt20 -67.69 -23.97 65.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -70.15 -68.18 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -114.63 -27.59 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 70.74 -172.71 42.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -123.99 133.45 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.939 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -110.34 118.61 36.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.441 ' ND2' ' CG2' ' A' ' 176' ' ' THR . 14.7 t30 -39.46 119.02 1.26 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.648 0.737 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -9.0 25.04 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.441 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 10.2 t -98.93 -27.97 13.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -111.38 82.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.18 128.77 32.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.432 ' CG ' ' O ' ' A' ' 179' ' ' PHE . 59.3 t80 -131.96 52.25 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -174.67 4.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -117.79 18.05 14.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 183' ' ' MET . 23.3 mm-40 -60.29 -50.13 74.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 183' ' ' MET . . . . . 0.452 ' C ' ' O ' ' A' ' 182' ' ' GLN . 32.2 mtm -34.07 133.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -84.25 148.54 26.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 25.7 p30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.926 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -78.67 149.6 32.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.359 . . . . 0.0 110.856 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 t -106.37 -53.52 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.54 150.44 6.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 t -117.31 118.57 32.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 p -111.87 131.39 55.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.37 172.43 18.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 131.96 22.31 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.417 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 33.8 p -47.68 108.81 0.96 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.602 0.715 . . . . 0.0 111.149 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 9' ' ' THR . 53.2 Cg_endo -69.8 111.11 2.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.295 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -76.27 162.23 28.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -91.3 93.3 9.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -98.61 144.88 27.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -75.14 99.48 3.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.805 HG22 ' HB2' ' A' ' 61' ' ' ALA . 85.0 t -118.25 141.15 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -106.02 113.25 26.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -83.6 124.67 31.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -115.96 134.01 55.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -78.34 106.6 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.4 m -140.31 173.42 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -114.18 152.95 30.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -101.13 106.86 18.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.863 HD13 HG12 ' A' ' 112' ' ' VAL . 5.9 mp -75.22 -55.31 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.627 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 160.53 -177.04 37.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.569 ' O ' HD21 ' A' ' 44' ' ' LEU . 26.9 ttp -107.67 149.42 28.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.557 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.5 OUTLIER -157.68 117.3 1.93 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 0.0 110.948 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 142.02 46.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.665 2.244 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.4 m -116.1 144.76 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -63.67 -45.17 91.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -121.61 151.7 57.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.553 ' HB3' ' CD2' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.8 -39.22 6.7 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.667 2.244 . . . . 0.0 112.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.2 m -103.18 -175.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.13 103.93 0.84 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.447 ' CE ' ' HA ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -53.24 -52.54 58.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.854 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -44.02 -35.42 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.6 m -78.12 -39.96 39.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.8 tt -64.1 -55.62 20.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -53.34 -34.84 59.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 t -58.26 -19.71 36.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.557 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -88.27 -35.18 17.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.07 -62.86 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -48.12 -51.09 26.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -39.9 -54.64 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.627 HD22 ' HA3' ' A' ' 24' ' ' GLY . 6.3 mt -68.78 -60.18 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.477 ' HE2' HD21 ' A' ' 23' ' ' LEU . 6.2 mtt -38.34 -40.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.7 p -73.66 -37.38 65.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' LEU . 67.0 m -66.85 -58.26 5.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.6 m -103.18 169.55 8.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.496 ' O ' ' NE1' ' A' ' 53' ' ' TRP . 13.4 p -98.59 159.02 15.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 19.1 tttt -62.63 -18.34 62.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -92.27 -31.86 15.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.86 -34.55 76.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.523 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 2.1 m0 -61.7 112.24 5.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.524 0.678 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 136.81 33.91 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.724 2.282 . . . . 0.0 112.322 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 m -72.98 111.04 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.1 m -115.89 168.71 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -98.99 124.48 43.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.402 ' HE1' ' CD2' ' A' ' 113' ' ' PHE . 55.8 ttm -92.69 101.59 14.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.545 ' HB3' HG11 ' A' ' 15' ' ' VAL . 13.9 m120 -76.24 100.52 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.2 t -102.47 98.18 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.805 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -93.92 173.08 7.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.557 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 31.0 t0 -39.51 -70.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.436 ' O ' HG22 ' A' ' 82' ' ' VAL . . . -120.5 42.92 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -158.28 149.82 21.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.143 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.3 t -140.23 106.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.0 m -110.95 145.67 37.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.756 HG12 HD12 ' A' ' 77' ' ' LEU . 53.0 t -110.68 105.42 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 69' ' ' SER . 83.0 mt -104.27 153.26 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 68' ' ' ILE . 8.3 t -76.27 160.88 29.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -72.79 -37.17 67.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -85.59 -57.67 2.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -81.14 141.93 33.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -100.73 -37.22 8.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -82.22 -12.62 57.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -67.91 97.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 76' ' ' VAL . 94.6 t -86.63 76.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.756 HD12 HG12 ' A' ' 67' ' ' VAL . 33.5 mt -42.73 -72.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.7 t -127.82 129.39 69.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -104.46 97.79 7.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.724 ' HA ' ' HE3' ' A' ' 101' ' ' MET . 38.9 t -105.55 148.14 27.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 82' ' ' VAL . 58.4 mtt180 -140.95 124.51 16.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.495 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 2.3 m -34.12 -45.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.2 mtm-85 -45.94 -48.96 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 81' ' ' ARG . 33.3 m-85 -75.44 -32.03 60.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.9 tt -47.48 100.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.9 p -78.12 -47.0 19.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -158.19 141.0 14.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.609 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.4 ptp -129.24 153.24 47.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.42 -170.41 26.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.9 t -134.34 146.23 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 92' ' ' LYS . . . -85.87 164.09 37.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 91' ' ' GLY . 7.0 mtpm? -34.89 -43.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -81.82 108.75 15.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.9 m -55.76 -16.43 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 9.1 m80 -84.68 27.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.545 HG22 ' CE3' ' A' ' 114' ' ' TRP . 31.1 p -136.33 164.24 28.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -156.42 116.1 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.663 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -129.61 136.0 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -132.38 145.15 51.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.447 HG21 ' HA ' ' A' ' 31' ' ' PRO . 68.6 mt -100.93 119.35 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.724 ' HE3' ' HA ' ' A' ' 80' ' ' CYS . 24.0 ptm -118.45 155.76 30.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -94.12 104.11 16.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.463 HG23 ' HG3' ' A' ' 101' ' ' MET . 70.4 p -106.98 43.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 139.8 -139.83 10.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 107' ' ' ARG . 16.2 m-80 -62.32 -174.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -41.97 -24.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 105' ' ' ASN . 52.9 mtt180 -64.3 100.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 31' ' ' PRO . 7.2 m-85 -101.31 143.18 31.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -105.3 157.21 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.4 t -124.38 111.6 15.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -92.52 130.87 38.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.863 HG12 HD13 ' A' ' 23' ' ' LEU . 40.8 t -109.15 139.38 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.402 ' CD2' ' HE1' ' A' ' 58' ' ' MET . 90.9 m-85 -143.6 119.99 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.545 ' CE3' HG22 ' A' ' 96' ' ' THR . 34.8 t-105 -74.56 125.05 27.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.402 ' C ' ' HG2' ' A' ' 116' ' ' GLU . 79.9 m -100.96 161.67 13.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.484 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.3 mm-40 -146.29 127.67 7.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.739 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.9 Cg_endo -69.75 -50.77 0.17 OUTLIER 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.366 -0.015 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.59 -176.4 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -103.11 42.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.15 -48.8 19.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 124' ' ' GLU . 4.8 m120 -76.21 -61.09 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 121' ' ' ASN . 99.0 t -36.86 -51.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.3 m -65.78 -39.41 90.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 121' ' ' ASN . 26.2 tt0 -60.03 -42.02 93.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.59 -54.27 42.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 127' ' ' GLN . 6.7 p -62.13 -42.69 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.417 ' N ' HG13 ' A' ' 126' ' ' VAL . 1.9 tp-100 -48.49 -54.84 12.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.59 -38.63 77.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -45.92 -39.62 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 75.5 m -54.06 -41.75 68.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.6 t -120.09 42.85 2.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -114.74 83.64 0.34 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 75.2 m -145.64 159.74 42.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 13.2 m -106.22 173.87 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 103.06 -52.26 0.8 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.71 110.29 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -149.09 137.63 21.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -58.71 101.59 0.22 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.457 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -96.97 154.18 17.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -119.93 134.92 10.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 83.0 p -120.23 112.6 19.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 44.6 p -172.29 134.96 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -78.25 -169.51 34.89 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t -142.84 138.73 30.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.827 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.6 t -122.55 146.84 47.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 40.14 73.37 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 70.3 m -52.96 -56.43 16.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.9 t -155.96 142.69 18.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 177.12 42.62 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.0 m -145.23 175.26 10.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.842 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 63.3 m -96.0 130.62 42.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 84.63 62.91 1.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -113.6 135.55 53.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -167.15 158.0 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -172.63 112.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 157' ' ' VAL . 8.4 p -48.88 125.93 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 15.1 t -60.17 139.11 91.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 111.105 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 7.77 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.635 2.223 . . . . 0.0 112.356 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 164' ' ' LEU . 47.9 mm-40 -87.89 -41.75 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.71 -41.11 27.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -48.24 -49.2 34.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -65.29 -47.61 76.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 160' ' ' GLU . 7.1 mt -54.03 -46.98 72.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.479 ' HA ' ' CG ' ' A' ' 168' ' ' GLN . 13.4 t -55.09 -56.49 19.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -42.09 -33.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 9.8 mtp -73.09 -53.14 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.479 ' CG ' ' HA ' ' A' ' 165' ' ' SER . 2.7 pt20 -70.4 -12.69 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -85.37 -72.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.55 -41.86 5.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 100.64 -168.33 20.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -139.45 120.37 14.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.959 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -98.9 117.9 34.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.687 ' CG ' HG22 ' A' ' 176' ' ' THR . 46.1 t-20 -48.17 125.11 11.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.55 0.69 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -5.77 17.02 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.687 HG22 ' CG ' ' A' ' 174' ' ' ASN . 2.4 t -97.76 -25.02 15.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -93.8 89.55 6.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' LYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 180' ' ' PHE . 2.5 mtpp -117.1 -67.72 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 54.9 t80 41.27 53.5 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 178' ' ' LYS . 0.5 OUTLIER -105.26 -174.44 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -123.53 63.0 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -107.39 -54.05 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 34.1 mtm -58.91 173.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -69.84 174.96 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -90.42 42.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 110.807 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -55.77 -53.08 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.52 123.31 1.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 p -119.88 -50.01 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.811 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -160.19 140.37 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.44 145.06 9.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 169.1 19.63 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.385 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.6 p -95.93 132.23 27.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.565 0.698 . . . . 0.0 111.169 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 164.33 34.95 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -146.5 138.78 25.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 m -153.61 135.01 14.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 14' ' ' LEU . 56.7 mt-10 -113.78 176.19 5.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -36.04 104.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 61' ' ' ALA . 11.0 p -126.21 133.48 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -96.66 149.66 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 146.66 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -134.61 147.92 50.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -87.71 110.9 20.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' ' 115' ' ' CYS . 33.4 m -142.92 -179.26 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -119.53 159.05 25.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -105.92 107.17 18.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.541 HD23 ' HG2' ' A' ' 45' ' ' MET . 5.4 mp -76.06 -35.98 59.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.614 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 142.11 -171.19 24.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -120.28 139.44 52.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.779 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -144.96 118.27 5.5 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 110.908 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.445 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.6 Cg_endo -69.81 146.08 58.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.09 159.67 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -90.57 -33.78 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -117.33 145.23 35.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.727 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.454 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.76 -31.69 20.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.482 HG12 ' HB2' ' A' ' 87' ' ' PHE . 18.3 m -130.54 151.56 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.82 94.42 0.34 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.578 ' CE ' HD22 ' A' ' 37' ' ' LEU . 1.4 mmt -44.16 -38.06 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -57.36 -40.11 77.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.412 ' O ' ' CB ' ' A' ' 39' ' ' SER . 60.0 m -74.14 -46.83 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.578 HD22 ' CE ' ' A' ' 34' ' ' MET . 4.8 tp -43.56 -63.79 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.51 ' HA ' HD12 ' A' ' 41' ' ' ILE . 12.1 m-80 -57.88 -21.65 44.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 36' ' ' THR . 1.9 t -65.41 -29.26 69.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.779 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -87.86 -32.01 19.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 38' ' ' ASN . 89.4 mt -59.23 -61.42 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASN . 10.5 mt-10 -49.3 -55.65 12.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' GLU . 40.9 m-20 -35.3 -51.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.614 HD22 ' HA3' ' A' ' 24' ' ' GLY . 6.4 mt -71.93 -59.3 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.571 ' HE1' HG21 ' A' ' 96' ' ' THR . 15.5 mtt -38.66 -38.09 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.6 p -74.46 -46.24 41.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 m -60.49 -54.39 46.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -108.22 146.99 32.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.573 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 28.0 m -88.28 167.3 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.812 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HA ' ' CD2' ' A' ' 53' ' ' TRP . 44.6 tttm -53.41 -44.41 68.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -71.21 -32.97 69.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.28 -34.38 72.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.573 ' CD1' ' O ' ' A' ' 49' ' ' SER . 4.7 m0 -64.42 112.65 8.2 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.55 0.69 . . . . 0.0 110.934 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 131.8 22.04 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.637 2.225 . . . . 0.0 112.401 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.1 m -68.1 124.79 24.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 m -136.34 168.19 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.55 126.77 51.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.0 ttm -94.2 108.88 20.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.567 ' CG ' HD12 ' A' ' 68' ' ' ILE . 9.0 m120 -92.99 114.16 26.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.574 HG13 HG22 ' A' ' 65' ' ' VAL . 89.8 t -114.37 98.82 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -75.32 179.78 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -43.81 -60.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.58 37.15 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.731 HG23 ' HG3' ' A' ' 81' ' ' ARG . 5.4 m -150.29 151.07 32.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.574 HG22 HG13 ' A' ' 60' ' ' VAL . 74.9 t -132.7 96.75 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.8 m -100.67 144.88 29.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.554 HG12 HD12 ' A' ' 77' ' ' LEU . 54.9 t -108.92 119.09 57.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.567 HD12 ' CG ' ' A' ' 59' ' ' ASN . 46.6 mt -119.47 147.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 t -73.05 173.26 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.15 -38.87 21.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -68.4 -75.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.62 136.93 32.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -88.95 -16.11 32.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -87.21 -12.54 46.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.51 ' OE2' HD23 ' A' ' 77' ' ' LEU . 27.8 tp10 -72.48 116.1 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.8 t -105.59 83.57 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.554 HD12 HG12 ' A' ' 67' ' ' VAL . 47.5 mt -50.97 -53.51 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 94.4 t -143.04 135.6 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -116.35 96.79 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.9 t -108.89 147.08 32.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.731 ' HG3' HG23 ' A' ' 64' ' ' THR . 2.1 mpt_? -118.34 123.89 46.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.818 HG21 ' HB1' ' A' ' 129' ' ' ALA . 74.6 t -34.82 -49.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.463 ' HA ' HG21 ' A' ' 176' ' ' THR . 2.9 mmp_? -52.1 -46.46 65.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' ARG . 4.7 m-85 -66.48 -29.95 70.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.738 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.5 tt -51.04 115.16 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -85.61 -50.2 7.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 2.7 t80 -148.75 142.28 25.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.738 ' HB3' HD21 ' A' ' 85' ' ' LEU . 8.2 ptp -138.36 145.31 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.54 -162.97 17.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 96' ' ' THR . 92.6 t -131.91 144.92 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.338 . . . . 0.0 111.166 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.81 -169.55 23.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -45.46 -47.88 13.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -94.32 139.7 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.589 ' HA ' HG11 ' A' ' 90' ' ' VAL . 9.2 m -70.81 -11.57 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -77.34 -11.81 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.602 ' O ' HG13 ' A' ' 90' ' ' VAL . 73.3 p -100.52 150.73 22.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -143.68 118.61 9.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -133.87 141.3 47.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 99' ' ' PHE . 12.8 p90 -136.16 144.21 44.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.8 mt -105.13 117.75 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.3 ptm -109.09 165.04 11.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -107.74 108.62 19.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.5 p -94.94 11.44 31.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -171.46 -132.2 1.45 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.444 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -92.28 -61.71 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.734 0.302 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.524 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 2.4 tt0 -113.53 -37.5 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.455 ' O ' ' CG ' ' A' ' 107' ' ' ARG . 8.9 ptm180 -60.52 116.71 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.818 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 4.1 m-85 -120.77 146.15 46.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -111.81 136.42 51.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 32.3 t -112.79 109.23 18.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -95.5 140.7 29.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.5 t -119.42 148.06 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -151.25 128.98 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.422 ' CE3' HG22 ' A' ' 96' ' ' THR . 49.9 t-105 -80.08 119.3 22.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.689 ' HA ' HG12 ' A' ' 20' ' ' VAL . 13.6 m -92.53 165.73 12.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 21.9 mt-10 -151.62 128.65 5.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.646 0.736 . . . . 0.0 110.933 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 54.4 Cg_endo -69.72 -47.93 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.376 0.01 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -119.73 179.76 4.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.453 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -100.77 46.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.25 -62.25 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -58.86 -51.98 67.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 69.4 t -50.88 -52.19 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.0 m -65.36 -33.01 74.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -68.48 -38.93 81.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.18 73.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.5 p -70.63 -41.95 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.433 ' N ' HG13 ' A' ' 126' ' ' VAL . 8.3 tt0 -54.33 -50.87 66.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.71 -41.16 88.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.818 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -40.28 -36.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 74.6 m -49.92 -50.78 45.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 65.3 p -92.51 -50.75 5.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.15 -112.37 4.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.91 67.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 73.8 m -78.0 143.65 37.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.7 m -129.03 146.33 51.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.84 170.42 35.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.8 mm -115.57 127.89 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 111.175 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -113.46 139.27 49.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.09 123.52 3.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.54 157.61 23.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 110.834 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -90.55 97.49 2.33 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.4 t -117.71 149.93 39.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.5 t -155.4 118.74 4.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 135.06 148.91 5.76 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 68.4 m -102.06 42.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 75.7 m -144.64 174.47 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -163.41 156.91 28.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.517 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.8 t -120.7 155.03 34.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.0 t -97.16 150.7 20.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.795 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -64.72 133.51 37.86 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 92.5 p -154.49 150.03 27.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 5.0 m -60.72 119.57 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 165.88 -54.41 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.08 176.52 2.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -125.16 146.52 49.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -164.01 109.42 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 11.3 p -74.18 137.64 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 6.3 t -47.83 130.17 11.52 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.595 0.712 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 7.0 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.07 -55.77 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -59.58 -40.67 88.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -49.29 -45.93 45.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -74.13 -56.08 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.453 HD21 ' C ' ' A' ' 119' ' ' ALA . 30.8 mt -42.28 -53.58 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 87.3 p -54.32 -46.13 72.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -56.69 -32.6 65.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 85.8 mmm -70.97 -54.7 10.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -68.48 -18.93 64.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -79.02 -70.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -109.91 -31.53 7.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 84.69 -166.99 41.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -127.1 129.57 48.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.913 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' ASN . 20.9 mp0 -105.86 106.5 17.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.593 ' ND2' ' CG2' ' A' ' 176' ' ' THR . 26.8 t30 -37.99 122.1 1.02 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.632 0.729 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -36.0 11.6 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.593 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 10.5 t -63.99 -18.68 64.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -108.59 65.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 179' ' ' PHE . 22.5 ttpp -83.99 -75.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' A' ' 178' ' ' LYS . 4.4 t80 33.36 51.71 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.405 ' CD2' ' HD2' ' A' ' 178' ' ' LYS . 1.3 p90 -60.27 -174.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -129.54 68.3 1.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -113.31 44.74 1.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 80.7 mtp -46.3 129.37 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -126.88 139.1 53.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.915 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m -159.02 110.57 2.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.913 0.387 . . . . 0.0 110.833 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -80.81 175.1 10.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.24 151.83 10.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -160.53 171.6 18.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.884 0.374 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -161.03 147.34 14.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.84 62.3 0.75 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.26 24.93 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.9 m -112.05 96.08 32.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.582 0.706 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 124.74 11.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -140.06 123.05 16.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.9 p -113.81 98.52 7.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -124.51 162.05 24.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.33 101.41 14.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.99 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.423 HG23 ' CA ' ' A' ' 61' ' ' ALA . 9.6 p -130.39 135.8 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -98.64 140.3 33.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.13 144.42 45.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -133.53 148.16 51.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -88.83 110.2 20.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 m -141.81 -175.56 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -121.73 160.41 24.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -112.47 117.5 32.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD21 ' HE2' ' A' ' 45' ' ' MET . 6.2 mp -82.92 -44.14 15.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.17 177.77 21.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.443 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.1 ttp -102.63 140.36 37.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.606 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -148.16 118.24 4.25 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.614 0.721 . . . . 0.0 110.945 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.61 45.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.4 m -109.92 154.95 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.84 -44.13 28.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' H ' HG21 ' A' ' 36' ' ' THR . 2.0 mpt_? -116.57 147.06 38.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.75 -12.23 32.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.376 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 87' ' ' PHE . 21.8 m -141.97 166.51 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.63 103.24 2.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.1 mmt -49.72 -41.33 43.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -54.56 -26.56 32.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.406 HG21 ' H ' ' A' ' 30' ' ' ARG . 88.6 m -91.04 -45.8 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.907 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.4 tt -57.24 -45.45 83.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.95 -48.16 72.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.4 t -44.42 -28.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -83.86 -37.85 21.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.7 mt -52.49 -57.06 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' ASN . 10.7 mt-10 -53.23 -52.37 59.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLU . 74.6 m-20 -37.32 -41.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.4 mt -79.04 -54.94 5.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.515 ' HE2' ' CH2' ' A' ' 53' ' ' TRP . 2.8 mtt -44.99 -41.49 7.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.2 p -60.97 -41.36 96.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.5 m -62.73 -66.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.4 m -109.34 150.18 28.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 56.5 m -81.91 164.08 21.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.838 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.583 ' HA ' ' CH2' ' A' ' 53' ' ' TRP . 1.7 tmtp? -48.09 -59.46 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -68.49 -23.33 64.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.436 ' HB3' ' N ' ' A' ' 49' ' ' SER . 12.3 t0 -65.85 -24.28 66.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.583 ' CH2' ' HA ' ' A' ' 50' ' ' LYS . 5.2 m0 -71.57 132.43 85.5 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.582 0.705 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.68 28.52 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.3 m -72.57 123.85 24.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.1 m -128.24 -177.95 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -124.2 127.13 47.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.7 tpp -94.12 116.13 28.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -104.49 123.78 48.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 65' ' ' VAL . 95.6 t -115.04 98.46 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.423 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -90.96 -178.08 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.071 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.4 102.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 52.93 37.79 25.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.061 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.419 HG23 ' HG3' ' A' ' 81' ' ' ARG . 24.0 m -151.46 148.6 28.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 60' ' ' VAL . 82.2 t -133.63 101.16 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.3 m -100.73 134.21 44.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.703 HG12 HD12 ' A' ' 77' ' ' LEU . 90.1 t -100.95 111.15 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 69' ' ' SER . 59.1 mt -106.79 153.51 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.416 ' N ' HG22 ' A' ' 68' ' ' ILE . 2.1 t -83.78 155.12 23.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -68.17 -43.98 76.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -55.45 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' A' ' 75' ' ' GLU . 3.0 p30 -103.47 161.0 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -100.37 -33.66 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' A' ' 73' ' ' GLU . 11.1 pt-20 -68.4 -31.67 71.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.446 ' HB2' ' ND2' ' A' ' 72' ' ' ASN . 15.2 tp10 -54.87 113.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.46 80.5 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.703 HD12 HG12 ' A' ' 67' ' ' VAL . 97.4 mt -42.65 -59.16 2.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.8 t -148.7 134.31 11.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -107.69 97.17 6.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.6 t -104.36 146.07 29.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.419 ' HG3' HG23 ' A' ' 64' ' ' THR . 35.9 mtt180 -131.14 121.83 25.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.496 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 22.0 t -36.32 -50.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.4 OUTLIER -37.01 -57.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 85' ' ' LEU . 38.1 m-85 -66.06 -41.53 90.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.6 tt -34.31 109.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.9 p -86.14 -37.36 18.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.481 ' HB2' HG12 ' A' ' 32' ' ' VAL . 72.8 t80 -163.87 147.4 9.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.509 ' HB3' HD21 ' A' ' 85' ' ' LEU . 6.3 ptp -139.66 148.77 42.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.67 -169.79 30.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.775 HG11 ' HA ' ' A' ' 94' ' ' VAL . 95.3 t -123.87 142.89 39.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 111.102 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.22 -151.73 0.7 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -62.81 -43.47 98.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.03 128.66 45.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.775 ' HA ' HG11 ' A' ' 90' ' ' VAL . 25.7 m -53.56 -27.43 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 2.1 m80 -60.22 -31.66 70.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.581 ' O ' HG13 ' A' ' 90' ' ' VAL . 65.1 p -78.15 154.87 30.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -152.07 114.87 4.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.907 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -126.83 146.5 50.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.086 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 111' ' ' HIS . 22.0 p90 -140.53 140.17 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.4 mt -97.59 121.19 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.9 ptm -121.89 158.33 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.38 118.41 29.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.3 p -127.99 38.67 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 143.09 -140.32 9.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 107' ' ' ARG . 68.4 m-20 -64.01 -175.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.776 0.322 . . . . 0.0 110.871 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -40.43 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 105' ' ' ASN . 10.6 mtp-105 -66.62 99.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 7.8 m-85 -95.09 147.85 22.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -105.45 153.86 21.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.463 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 50.6 t -129.14 113.39 15.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 97.3 m-70 -93.33 127.01 38.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.552 HG22 ' HB2' ' A' ' 98' ' ' ALA . 19.5 t -108.98 139.3 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 23.0 m-85 -141.95 130.77 22.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -81.29 122.76 27.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 74.5 m -93.03 168.68 10.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.463 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 26.2 mt-10 -153.66 124.66 3.55 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.583 0.706 . . . . 0.0 110.878 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.597 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 54.1 Cg_endo -69.76 -50.82 0.17 OUTLIER 'Cis proline' 0 C--N 1.34 0.13 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.34 0.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.39 179.12 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.409 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -96.17 42.7 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.076 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -82.55 -55.81 4.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -60.22 -57.39 13.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 95.7 t -51.08 -56.03 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.428 ' HA ' HG12 ' A' ' 126' ' ' VAL . 73.7 m -59.73 -42.86 94.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.77 -33.86 68.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.76 -58.95 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.497 HG22 ' HE1' ' A' ' 88' ' ' MET . 6.3 p -54.44 -37.3 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -58.15 -47.08 84.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.02 83.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.061 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.481 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -44.17 -33.5 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.442 ' SG ' ' CE ' ' A' ' 88' ' ' MET . 55.8 m -71.99 -42.7 66.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.7 t 71.0 35.16 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.42 -173.22 25.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 99.33 0.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.728 2.285 . . . . 0.0 112.338 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.4 t -96.61 142.96 28.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.4 m -136.04 150.01 49.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 64.27 76.24 0.31 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 137' ' ' ILE . 38.4 mt -84.76 52.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.37 168.77 3.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.05 -60.34 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.97 149.83 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -72.47 -140.87 0.37 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 32.5 t -49.91 160.13 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.915 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.6 p -68.73 126.18 28.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 113.31 98.14 2.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.8 t -110.85 136.65 49.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.834 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.2 m -167.97 157.02 9.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 157.05 114.37 0.43 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 66.8 m -106.97 110.12 22.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.4 m -146.43 156.3 43.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -99.89 -95.5 2.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.3 m -72.22 97.61 2.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 58.6 p -150.04 168.39 24.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -111.27 -162.66 17.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -65.8 108.5 2.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.359 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -86.14 -3.28 58.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -174.58 109.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 5.9 p -39.16 134.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 10.1 t -75.93 141.91 72.16 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.64 0.734 . . . . 0.0 111.108 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 3.34 2.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.4 ' O ' HD12 ' A' ' 164' ' ' LEU . 33.8 mt-10 -87.39 -35.14 18.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -84.17 -44.14 14.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -48.46 -39.39 22.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -75.85 -46.79 28.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.409 HD21 ' C ' ' A' ' 119' ' ' ALA . 18.5 mt -55.24 -50.34 69.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 168' ' ' GLN . 72.6 p -57.83 -48.61 79.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -48.19 -44.46 32.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 4.2 mtp -53.93 -55.19 29.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 165' ' ' SER . 2.8 pt20 -66.07 -27.89 68.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -68.54 -63.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -116.19 -36.18 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 86.49 -167.57 39.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' TYR . . . . . 0.476 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 64.4 t80 -131.15 134.11 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.948 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -112.62 118.08 34.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.639 ' CG ' HG22 ' A' ' 176' ' ' THR . 10.6 t-20 -54.77 118.71 17.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 -16.93 37.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.315 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.639 HG22 ' CG ' ' A' ' 174' ' ' ASN . 8.8 t -70.75 -35.45 72.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' TYR . . . . . 0.45 ' O ' ' CD2' ' A' ' 179' ' ' PHE . 0.6 OUTLIER -88.71 71.97 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 178' ' ' LYS . . . . . 0.578 ' HD3' ' CZ ' ' A' ' 180' ' ' PHE . 2.6 pptp? -72.58 131.27 42.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.945 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 177' ' ' TYR . 2.5 p90 -135.0 76.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.578 ' CZ ' ' HD3' ' A' ' 178' ' ' LYS . 0.3 OUTLIER -112.63 170.9 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 181' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 182' ' ' GLN . 21.3 mp0 -109.9 39.46 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 184' ' ' GLN . 2.0 pp0? -36.38 -46.71 0.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.39 95.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 182' ' ' GLN . 2.2 pt20 -139.32 163.99 31.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 8.3 p30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -141.1 147.77 39.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.917 0.389 . . . . 0.0 110.823 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.7 p -161.81 152.45 17.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.43 123.21 1.57 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 p -156.41 132.08 9.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.832 0.349 . . . . 0.0 110.866 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 t -173.91 118.63 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . 155.25 115.09 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.482 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HD2' ' HA2' ' A' ' 7' ' ' GLY . 53.6 Cg_endo -69.76 -178.59 2.41 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.2 m -117.36 122.17 31.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 111.17 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 143.07 49.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.32 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -83.64 107.65 16.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.5 p -54.06 101.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -112.42 152.38 28.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -50.82 103.34 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.521 HG23 ' N ' ' A' ' 61' ' ' ALA . 9.1 p -109.41 143.35 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -102.61 144.86 30.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.08 146.73 36.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -134.93 130.45 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -69.78 110.48 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.5 m -142.28 -177.9 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -130.18 146.64 51.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -96.53 124.51 40.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.595 HD21 ' HE2' ' A' ' 45' ' ' MET . 6.3 mp -90.49 -41.51 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.54 -178.99 28.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.489 ' CG ' ' OE2' ' A' ' 109' ' ' GLU . 9.1 tmm? -107.04 138.96 42.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.549 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.6 OUTLIER -143.68 115.68 5.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.921 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.549 ' N ' HD13 ' A' ' 26' ' ' LEU . 53.9 Cg_endo -69.74 144.12 53.11 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.415 HG13 ' HB2' ' A' ' 110' ' ' CYS . 33.2 m -118.15 159.59 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -90.31 -39.4 12.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -118.64 144.82 36.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HA ' HG21 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.73 -36.0 11.7 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.752 2.301 . . . . 0.0 112.303 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.497 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.9 m -117.38 149.66 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.28 103.98 1.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.448 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 mmt -52.1 -30.66 27.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.01 -26.25 68.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 m -93.81 -45.94 7.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.718 HD12 ' CD1' ' A' ' 100' ' ' ILE . 8.7 tt -56.06 -46.03 79.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -71.87 -42.93 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.4 t -54.65 -17.79 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.803 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.9 -39.18 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.469 ' HA ' HG21 ' A' ' 112' ' ' VAL . 79.2 mt -53.52 -60.13 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 44' ' ' LEU . 16.3 mm-40 -55.89 -54.18 47.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' GLU . 76.7 m-20 -34.75 -34.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' GLU . 39.8 mt -89.98 -44.86 9.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.595 ' HE2' HD21 ' A' ' 23' ' ' LEU . 3.0 mtt -54.44 -47.64 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 42' ' ' GLU . 5.2 t -54.24 -36.8 63.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.0 p -81.12 -63.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -95.15 139.36 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.578 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 5.9 m -93.65 176.88 6.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.5 tttt -52.72 -46.39 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.73 -37.47 79.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -57.31 -28.58 63.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 49' ' ' SER . 3.1 m0 -77.59 112.66 25.72 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 53' ' ' TRP . 54.4 Cg_endo -69.73 141.29 44.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.1 m -69.31 126.38 29.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.496 HG11 ' CD1' ' A' ' 77' ' ' LEU . 34.9 m -136.3 169.04 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.59 117.67 32.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.444 ' HG2' HG23 ' A' ' 60' ' ' VAL . 43.5 ttm -86.1 107.58 17.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -92.99 103.48 15.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.733 HG13 HG22 ' A' ' 65' ' ' VAL . 96.7 t -102.09 98.84 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.101 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.521 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -71.01 -177.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.414 ' CG ' ' N ' ' A' ' 63' ' ' ALA . 8.6 p-10 -53.2 -53.01 56.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.414 ' N ' ' CG ' ' A' ' 62' ' ' ASP . . . -130.76 39.77 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.56 HG23 ' HG3' ' A' ' 81' ' ' ARG . 5.6 m -160.01 147.81 16.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.733 HG22 HG13 ' A' ' 60' ' ' VAL . 88.7 t -127.49 100.33 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -107.1 146.47 31.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.9 t -111.41 113.66 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.56 HG21 ' HA ' ' A' ' 73' ' ' GLU . 72.9 mt -107.13 143.03 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 t -85.25 133.95 34.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -53.5 -33.44 54.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -54.19 -43.35 70.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.451 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 3.1 m-80 -153.67 147.88 25.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.56 ' HA ' HG21 ' A' ' 68' ' ' ILE . 28.2 tt0 -74.24 -28.77 61.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -83.35 3.28 32.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -97.54 83.16 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.595 ' O ' HG13 ' A' ' 76' ' ' VAL . 11.2 p -86.1 110.55 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.496 ' CD1' HG11 ' A' ' 56' ' ' VAL . 12.9 mt -73.52 -47.23 42.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.6 HG11 ' CE1' ' A' ' 111' ' ' HIS . 90.5 t -142.51 139.55 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -121.73 99.68 6.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.6 t -109.79 147.63 32.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.56 ' HG3' HG23 ' A' ' 64' ' ' THR . 24.5 ttt180 -127.3 136.37 51.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.444 HG11 ' HA ' ' A' ' 130' ' ' CYS . 69.6 t -37.85 -51.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -54.81 -40.54 69.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ARG . 12.7 m-85 -72.54 -24.15 61.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.462 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 2.3 tt -69.6 107.39 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 71.5 p -77.32 -49.01 15.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.497 ' HB2' HG12 ' A' ' 32' ' ' VAL . 80.5 t80 -158.16 133.88 9.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.54 ' HE3' HG22 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -111.94 170.28 8.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.52 175.54 44.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 96' ' ' THR . 55.3 t -126.52 151.88 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 111.117 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.413 ' O ' HG12 ' A' ' 90' ' ' VAL . . . -80.55 -172.59 45.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -50.25 -44.21 53.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -90.13 126.29 35.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.1 m -59.87 -14.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 21.6 m80 -70.8 -33.88 71.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.478 ' O ' HG13 ' A' ' 90' ' ' VAL . 41.7 p -80.17 155.63 27.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.42 ' CD2' HG11 ' A' ' 122' ' ' VAL . 34.2 t80 -155.05 116.37 4.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.403 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -129.27 158.39 39.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -151.67 142.93 23.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.718 ' CD1' HD12 ' A' ' 37' ' ' LEU . 5.1 mp -97.08 120.79 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.8 ptm -115.8 170.4 8.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -112.62 108.3 17.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.5 p -98.49 43.27 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.209 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 163.05 -105.35 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -131.33 -68.58 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.312 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.43 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 4.7 tp-100 -98.9 -46.4 5.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -57.78 125.69 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 11.8 m-85 -120.79 135.32 55.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.645 ' OE2' ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -109.94 138.31 46.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.415 ' HB2' HG13 ' A' ' 28' ' ' VAL . 19.8 t -108.6 128.92 55.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.645 ' CE1' ' OE2' ' A' ' 109' ' ' GLU . 54.9 m80 -108.8 143.34 38.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.544 HG12 HD13 ' A' ' 23' ' ' LEU . 41.4 t -124.26 128.41 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 53.2 m-85 -135.46 132.55 37.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -85.77 137.69 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.554 ' SG ' HG21 ' A' ' 122' ' ' VAL . 83.7 m -122.99 147.79 46.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.514 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.6 pp20? -138.42 132.16 16.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.659 0.743 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.8 Cg_endo -69.75 -47.41 0.31 Allowed 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.344 0.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.5 ' OD1' ' HB2' ' A' ' 120' ' ' ALA . 1.3 p30 -124.55 -178.28 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.458 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -105.96 50.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.5 ' HB2' ' OD1' ' A' ' 118' ' ' ASN . . . -73.86 -58.01 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -64.09 -37.8 88.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.554 HG21 ' SG ' ' A' ' 115' ' ' CYS . 58.0 t -61.92 -64.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.6 m -55.46 -43.14 75.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -60.31 -39.95 88.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.59 -54.73 17.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.54 HG22 ' HE3' ' A' ' 88' ' ' MET . 7.6 p -60.11 -39.66 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -63.93 -55.16 24.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.05 98.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -42.83 -29.95 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.444 ' HA ' HG11 ' A' ' 82' ' ' VAL . 74.8 m -69.3 -54.72 13.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 95.9 p -85.31 33.34 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -47.77 -66.17 2.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -33.96 15.62 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 28.9 t -70.01 124.68 24.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 16.3 m -113.57 175.42 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 133.73 111.44 1.24 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.8 mm -118.72 143.25 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 111.142 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -113.58 129.29 56.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.85 48.1 0.78 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -124.01 166.88 14.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 116.92 77.54 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.5 m -99.57 42.25 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.8 t -104.06 140.3 37.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.89 91.14 0.37 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 26.1 m -144.54 148.87 34.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 29.3 t -154.1 143.83 21.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -104.53 42.75 1.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 13.5 m -115.23 175.26 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.1 m -153.39 124.67 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -81.21 -174.01 48.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 85.1 p -119.84 -45.11 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 56.4 m -84.51 106.53 16.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 170.25 -88.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.7 t70 59.37 42.78 17.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -138.82 171.96 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -171.37 107.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.97 139.71 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.483 ' CG2' ' HG3' ' A' ' 161' ' ' GLU . 9.7 t -84.49 142.03 39.79 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.586 0.708 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' PRO . . . . . 0.426 ' C ' ' HG2' ' A' ' 162' ' ' ARG . 53.9 Cg_endo -69.75 3.21 2.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -86.15 -49.06 8.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.483 ' HG3' ' CG2' ' A' ' 158' ' ' THR . 9.8 mt-10 -66.38 -48.37 70.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 161' ' ' GLU . 10.2 ptm180 -36.01 -35.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 166' ' ' LYS . 1.5 t-80 -91.64 -57.19 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.458 HD21 ' C ' ' A' ' 119' ' ' ALA . 8.8 mt -40.14 -47.32 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 66.4 p -57.1 -38.43 73.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 163' ' ' HIS . 0.8 OUTLIER -53.6 -51.32 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 73.8 mmm -49.37 -59.15 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.84 -28.84 69.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -62.22 -68.83 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -122.43 -32.94 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 89.78 173.17 45.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -108.81 123.25 48.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.83 111.78 23.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 85' ' ' LEU . 38.1 t30 -47.24 120.11 6.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.619 0.723 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -46.61 1.17 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.41 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 7.3 t -52.38 -31.45 33.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -101.78 54.05 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -89.37 115.52 26.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.422 ' O ' ' CG ' ' A' ' 179' ' ' PHE . 12.1 p90 -149.63 117.16 6.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -123.66 -178.57 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -110.58 20.76 17.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -61.47 -53.26 58.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 32.9 mmt -62.85 133.55 54.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -96.34 84.96 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.951 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -85.55 136.28 33.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -128.56 114.05 16.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.37 136.27 13.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -166.36 151.74 8.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 7' ' ' GLY . 34.4 t -84.65 79.58 9.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.12 -98.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 151.43 69.29 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.63 133.19 29.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 111.097 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 158.94 55.22 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.643 2.229 . . . . 0.0 112.393 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -119.29 150.2 40.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.6 p -92.92 98.97 11.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -101.11 148.43 25.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -70.13 97.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p -138.41 146.08 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -115.12 126.37 54.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -102.44 138.72 38.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -129.05 142.94 50.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.91 115.79 12.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 115' ' ' CYS . 14.9 m -140.9 -175.24 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -129.83 159.86 35.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -104.31 114.91 29.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.509 HD13 HG12 ' A' ' 112' ' ' VAL . 5.1 mp -92.67 -34.39 13.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 140.26 -176.82 21.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.1 ttp -122.71 136.34 54.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.707 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -129.7 116.96 18.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.942 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.407 ' HD2' HD13 ' A' ' 26' ' ' LEU . 54.2 Cg_endo -69.74 138.39 37.77 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.65 2.234 . . . . 0.0 112.367 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.0 m -137.43 171.17 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -113.63 -36.76 4.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -73.07 116.44 50.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -17.38 37.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 0.0 112.378 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.533 HG12 ' HB2' ' A' ' 87' ' ' PHE . 32.2 m -146.73 171.76 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.89 110.64 3.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.8 mmt -57.21 -29.75 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -61.7 -30.78 70.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.407 HG21 ' HB3' ' A' ' 30' ' ' ARG . 53.4 m -87.3 -51.09 6.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.673 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.8 tt -48.06 -50.68 27.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -63.27 -42.94 99.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -49.45 -23.35 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.707 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -89.35 -30.48 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.91 -63.0 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -50.39 -42.46 53.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -46.03 -43.56 14.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.501 HD22 ' HA3' ' A' ' 24' ' ' GLY . 8.8 mt -82.48 -56.47 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.444 ' HG2' ' CD2' ' A' ' 23' ' ' LEU . 15.9 mtp -38.64 -33.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 77.3 p -81.91 -41.2 21.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.116 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' LEU . 45.3 m -42.86 -60.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -120.49 -176.46 3.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.435 ' O ' ' NE1' ' A' ' 53' ' ' TRP . 23.5 m -95.65 172.39 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.578 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 17.6 tptp -66.9 -38.98 87.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -71.32 -30.44 66.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -63.97 -22.52 66.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.578 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 8.7 m0 -78.77 124.99 84.93 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.586 0.707 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 169.76 18.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.2 p -109.47 111.31 22.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 m -122.34 167.63 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -105.02 120.86 42.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.1 tpp -85.01 111.21 19.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -92.68 108.97 20.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.4 HG11 ' CA ' ' A' ' 126' ' ' VAL . 52.8 t -107.0 99.32 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.22 175.66 7.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.925 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 74.5 m-20 -42.43 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 82' ' ' VAL . . . -116.41 41.71 2.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.806 HG23 ' HG3' ' A' ' 81' ' ' ARG . 5.3 m -162.23 136.43 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.1 t -124.77 102.45 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.8 m -102.42 150.7 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.7 t -112.73 107.52 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.495 HG21 ' HA ' ' A' ' 73' ' ' GLU . 53.7 mt -104.39 145.46 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.477 ' CB ' ' HG2' ' A' ' 75' ' ' GLU . 0.9 OUTLIER -81.55 160.66 23.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -83.95 28.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -120.2 -41.89 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -149.8 142.75 24.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.495 ' HA ' HG21 ' A' ' 68' ' ' ILE . 7.1 tp10 -66.84 -31.48 72.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.495 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 3.2 pm0 -83.51 0.93 44.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 69' ' ' SER . 5.0 tp10 -87.19 81.94 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 76' ' ' VAL . 13.2 p -89.3 121.48 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.88 -40.77 8.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 91.5 t -142.08 124.74 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -112.81 98.47 7.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.4 t -105.34 147.82 27.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.806 ' HG3' HG23 ' A' ' 64' ' ' THR . 1.3 mpt_? -128.67 136.08 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.434 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 6.9 m -49.11 -43.8 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -46.88 -26.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -98.05 -35.91 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.7 tt -45.14 114.27 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.2 p -89.67 -43.68 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.533 ' HB2' HG12 ' A' ' 32' ' ' VAL . 54.0 t80 -157.72 141.32 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.483 ' HB3' HD21 ' A' ' 85' ' ' LEU . 16.0 ptp -130.09 153.38 48.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.27 172.89 45.76 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.818 HG13 ' O ' ' A' ' 96' ' ' THR . 73.3 t -107.65 144.65 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 111.165 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.48 -161.42 3.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -57.33 -35.37 69.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -101.44 129.68 47.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.639 ' HA ' HG11 ' A' ' 90' ' ' VAL . 3.0 m -57.63 -32.75 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -58.74 -27.83 65.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.818 ' O ' HG13 ' A' ' 90' ' ' VAL . 64.0 p -87.14 156.28 19.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -157.13 113.88 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.673 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -121.64 148.03 45.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -136.58 141.2 43.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.1 mt -98.51 122.8 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.7 ptm -116.23 155.66 27.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.547 ' OD2' ' CZ ' ' A' ' 177' ' ' TYR . 0.8 OUTLIER -101.59 112.73 25.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.817 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.9 p -90.82 -45.76 8.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -109.95 -115.14 3.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -109.89 -58.0 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.811 0.339 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.443 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 22.2 mt-30 -110.53 -40.59 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -58.39 118.38 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.443 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 9.6 m-85 -115.55 140.33 49.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -108.18 131.0 55.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.5 t -109.72 113.97 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 113' ' ' PHE . 96.8 m-70 -94.72 152.34 18.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.509 HG12 HD13 ' A' ' 23' ' ' LEU . 29.9 t -127.3 137.02 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 46.5 m-85 -146.19 126.14 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -80.47 119.8 23.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.609 ' SG ' HG21 ' A' ' 122' ' ' VAL . 82.9 m -91.13 161.49 15.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.502 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 6.4 mm-40 -144.85 129.43 9.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.692 0.758 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.7 Cg_endo -69.77 -48.57 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.361 -0.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -125.44 -177.64 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.427 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -98.01 43.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.681 ' N ' HD21 ' A' ' 164' ' ' LEU . . . -82.33 -48.95 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -80.07 -39.21 30.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.609 HG21 ' SG ' ' A' ' 115' ' ' CYS . 71.1 t -56.1 -64.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.43 ' HA ' HG12 ' A' ' 126' ' ' VAL . 19.5 m -59.77 -37.03 77.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -62.23 -39.37 92.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.11 -60.63 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 122' ' ' VAL . 8.4 p -53.53 -38.54 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.82 -55.83 29.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.98 -44.33 89.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.925 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -40.33 -49.71 2.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 129' ' ' ALA . 95.8 m -34.37 -40.3 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.3 m -106.17 -48.63 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 150.85 -167.34 30.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 106.68 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.262 . . . . 0.0 112.342 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 t -111.37 131.93 54.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 84.3 p -65.54 97.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 47.86 -128.5 16.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.456 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 60.5 mt -105.98 129.73 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -58.64 -56.05 27.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 130.92 148.52 6.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 4.8 mtp-105 -121.64 146.97 46.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 54.05 169.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 73.7 m -157.06 123.26 4.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 34.8 t -167.29 155.14 9.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 113.99 157.34 12.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 54.1 p -123.01 -44.02 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.818 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.8 m -141.85 145.2 34.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -65.67 127.86 31.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.0 t -111.26 117.62 33.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 42.3 m -50.82 145.57 6.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -127.38 141.45 12.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 23.0 t -53.01 156.16 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.823 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 16.1 m -96.15 100.33 11.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 164.09 87.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -157.61 158.19 35.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -38.35 155.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.24 95.31 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 8.4 p -113.91 151.36 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.414 ' CG2' ' HG3' ' A' ' 161' ' ' GLU . 9.2 t -81.87 142.05 48.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.606 0.717 . . . . 0.0 111.086 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -5.53 16.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.477 ' OE1' ' HB1' ' A' ' 120' ' ' ALA . 3.9 mm-40 -72.01 -46.65 56.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.419 ' HA ' HD12 ' A' ' 164' ' ' LEU . 12.0 mt-10 -71.45 -46.82 59.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -38.61 -33.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -91.22 -50.81 5.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.681 HD21 ' N ' ' A' ' 120' ' ' ALA . 13.9 mt -48.2 -32.64 7.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 9.8 p -72.3 -52.03 18.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -46.44 -37.71 8.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 2.6 mmt -60.97 -45.6 94.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -77.27 -26.65 52.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -65.46 -74.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -111.61 -39.48 4.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 95.05 -148.5 19.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' TYR . . . . . 0.4 ' HB3' ' CG ' ' A' ' 88' ' ' MET . 48.9 t80 -143.13 118.56 10.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -100.48 110.88 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.71 ' OD1' HG22 ' A' ' 176' ' ' THR . 37.9 t-20 -50.52 119.63 11.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -14.76 36.57 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.716 2.278 . . . . 0.0 112.33 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.71 HG22 ' OD1' ' A' ' 174' ' ' ASN . 3.7 t -84.84 -28.11 26.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' TYR . . . . . 0.547 ' CZ ' ' OD2' ' A' ' 102' ' ' ASP . 0.3 OUTLIER -122.68 85.27 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -115.6 130.19 56.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -128.96 52.22 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -83.54 174.75 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -126.94 67.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 183' ' ' MET . 13.6 pt20 -55.52 -39.43 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 183' ' ' MET . . . . . 0.477 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 2.3 ptt? -130.73 138.46 49.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -171.07 113.0 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -72.16 167.02 21.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t 56.39 41.52 28.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.44 137.56 9.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m -101.33 155.31 18.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -132.03 136.78 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.06 79.65 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 163.45 38.21 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.453 ' C ' ' H ' ' A' ' 11' ' ' LYS . 48.5 p -39.61 146.8 0.35 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.562 0.696 . . . . 0.0 111.088 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.666 ' O ' HG23 ' A' ' 12' ' ' THR . 54.2 Cg_endo -69.75 17.07 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 9' ' ' THR . 17.3 ttmt -46.63 110.79 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 10' ' ' PRO . 43.7 p -119.18 134.44 55.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -126.12 166.12 17.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.11 137.99 39.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.53 HG23 ' HB2' ' A' ' 61' ' ' ALA . 9.2 p -138.24 129.51 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -96.61 144.72 26.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.12 149.9 36.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -134.93 140.11 45.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -82.78 104.41 13.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 115' ' ' CYS . 22.0 m -139.56 -176.75 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -119.21 164.99 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.433 ' CD1' ' CE2' ' A' ' 113' ' ' PHE . 10.4 t80 -115.58 108.35 16.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.525 HD23 ' HG2' ' A' ' 45' ' ' MET . 6.3 mp -74.74 -44.0 52.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.419 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 148.81 176.03 21.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' A' ' 26' ' ' LEU . 12.2 tmm? -102.67 145.04 30.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.522 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -144.35 117.96 5.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 110.911 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.8 48.84 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.713 2.275 . . . . 0.0 112.332 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.6 m -126.86 150.98 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -105.59 15.65 26.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -137.49 133.32 18.02 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.561 0.696 . . . . 0.0 110.895 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -32.91 17.52 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.715 HG12 ' HB2' ' A' ' 87' ' ' PHE . 32.7 m -140.35 173.92 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.46 107.63 2.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.0 mmm -55.15 -38.62 68.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -49.74 -38.62 34.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 98.0 m -79.32 -44.19 22.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.201 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.86 -48.24 70.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -64.88 -40.4 95.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -58.44 -23.11 56.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -86.78 -28.35 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.406 HD13 ' HA3' ' A' ' 91' ' ' GLY . 81.6 mt -67.73 -59.22 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -53.91 -46.8 71.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -40.5 -44.19 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.419 HD22 ' HA3' ' A' ' 24' ' ' GLY . 10.9 mt -80.28 -56.16 4.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.525 ' HG2' HD23 ' A' ' 23' ' ' LEU . 4.2 mtt -39.07 -36.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -72.75 -51.14 20.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 m -55.73 -58.51 7.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.5 m -106.85 152.61 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.444 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 25.2 m -93.86 176.05 6.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 20.5 tptp -59.69 -48.85 80.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -70.27 -21.33 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -71.44 -25.36 62.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.535 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 5.2 m0 -77.7 116.27 56.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.565 0.697 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 140.03 41.66 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.64 2.226 . . . . 0.0 112.358 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 m -72.87 127.76 33.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.431 HG11 ' CD1' ' A' ' 77' ' ' LEU . 17.4 m -135.4 169.05 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -106.42 118.36 36.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.1 ttm -87.61 103.83 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.649 ' CG ' HD12 ' A' ' 68' ' ' ILE . 8.6 m120 -92.01 103.86 16.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.532 HG13 HG22 ' A' ' 65' ' ' VAL . 98.7 t -106.03 100.53 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.626 ' HB3' ' HB ' ' A' ' 64' ' ' THR . . . -78.52 171.7 14.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ALA . 8.3 m-20 -35.31 -65.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -124.35 39.54 3.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.064 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 61' ' ' ALA . 19.5 m -150.82 148.11 28.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.532 HG22 HG13 ' A' ' 60' ' ' VAL . 95.0 t -132.58 100.5 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.6 m -112.02 134.55 53.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.598 HG12 HD12 ' A' ' 77' ' ' LEU . 94.0 t -99.01 114.82 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.649 HD12 ' CG ' ' A' ' 59' ' ' ASN . 75.3 mt -104.66 149.85 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.7 t -87.93 157.73 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.99 -39.24 61.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -51.78 -59.32 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -124.14 147.54 47.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -82.6 -26.91 31.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -85.15 10.04 13.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -92.37 111.94 23.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 76' ' ' VAL . 22.9 t -95.84 90.62 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.598 HD12 HG12 ' A' ' 67' ' ' VAL . 62.7 mt -57.41 -50.0 74.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.2 t -148.14 136.44 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -112.94 96.23 5.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.409 ' SG ' ' CB ' ' A' ' 101' ' ' MET . 32.9 t -113.25 142.18 46.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 82' ' ' VAL . 40.1 mtt180 -123.37 130.07 52.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.465 HG11 ' HA ' ' A' ' 130' ' ' CYS . 92.8 t -34.48 -58.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.628 ' HA ' HG21 ' A' ' 176' ' ' THR . 9.2 ptt85 -40.42 -43.86 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.435 ' CZ ' ' NH2' ' A' ' 83' ' ' ARG . 12.3 m-85 -70.95 -39.93 72.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tt -41.19 121.4 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 p -96.37 -53.35 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.715 ' HB2' HG12 ' A' ' 32' ' ' VAL . 89.7 t80 -153.63 135.17 14.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.8 ptp -125.46 163.06 23.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.9 -165.93 32.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.671 HG11 ' HA ' ' A' ' 94' ' ' VAL . 79.0 t -130.8 140.44 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.933 0.397 . . . . 0.0 111.087 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.406 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . -69.83 -170.79 8.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.472 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -49.69 -37.89 30.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.13 129.0 49.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.671 ' HA ' HG11 ' A' ' 90' ' ' VAL . 3.0 m -56.65 -35.73 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -51.37 -27.23 9.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.2 p -85.53 159.79 19.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -158.18 116.35 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.663 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -129.0 151.59 49.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -141.33 141.42 33.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.2 mt -97.66 122.16 48.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.409 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER -119.44 158.97 25.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.457 ' OD2' ' CE2' ' A' ' 177' ' ' TYR . 0.9 OUTLIER -104.35 110.22 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.3 p -77.28 -46.23 23.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.38 -99.94 2.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -123.12 -53.37 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.757 0.313 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.527 ' O ' ' CZ ' ' A' ' 108' ' ' PHE . 34.8 mt-30 -111.37 -41.19 4.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 43.2 mtt85 -60.82 108.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.527 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 4.7 m-85 -108.63 139.64 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -111.75 133.87 53.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 17.4 t -108.62 113.45 26.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -99.59 133.43 43.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.663 HG22 ' HB2' ' A' ' 98' ' ' ALA . 17.6 t -116.49 141.84 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.433 ' CE2' ' CD1' ' A' ' 22' ' ' TYR . 43.4 m-85 -143.99 140.59 29.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.524 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 45.9 t-105 -86.13 117.9 25.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.47 ' HA ' HG12 ' A' ' 20' ' ' VAL . 80.7 m -89.87 157.81 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.4 mm-40 -143.16 127.93 9.76 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.655 0.74 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.8 Cg_endo -69.74 -49.37 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.328 0.044 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.06 -176.45 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.416 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -101.11 46.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.08 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.65 -43.18 12.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -79.65 -52.59 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 94.8 t -51.42 -59.57 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.8 t -57.62 -42.14 82.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -62.88 -35.35 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.03 -49.57 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 127' ' ' GLN . 10.2 p -68.33 -39.6 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.403 ' N ' HG13 ' A' ' 126' ' ' VAL . 39.5 tt0 -57.48 -53.92 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.64 97.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.59 -41.95 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.465 ' HA ' HG11 ' A' ' 82' ' ' VAL . 79.6 m -48.09 -60.34 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.2 t -89.07 -56.15 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 134.94 172.81 12.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -18.06 37.21 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.244 . . . . 0.0 112.355 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 85.5 p -66.69 -50.57 62.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.9 t -75.18 135.32 41.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -179.72 156.83 19.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.5 mm -77.26 115.25 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -39.4 -60.36 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 149.23 46.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.73 119.73 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.903 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -120.31 49.32 0.88 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 t -61.37 146.85 46.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.903 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.3 t -108.33 -51.57 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 40.81 58.14 2.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.5 t -107.92 140.8 40.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.9 t -122.6 117.84 26.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.39 160.23 12.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.8 m -106.85 97.33 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.856 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 23.0 m -85.28 43.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 95.51 -148.19 18.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 67.0 p -86.84 40.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.8 m -134.35 172.1 13.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 171.18 -67.08 0.14 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -129.41 122.09 28.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.777 0.322 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -73.25 154.17 40.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -102.32 26.41 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 58.4 t -38.7 121.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 13.1 t -54.45 141.12 54.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.634 0.731 . . . . 0.0 111.13 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 5.11 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.33 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -82.32 -45.55 14.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -82.57 -36.38 26.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -59.68 -35.46 74.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -81.8 -55.02 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.427 HD22 ' HB ' ' A' ' 94' ' ' VAL . 26.2 mt -39.18 -36.78 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 54.5 m -69.18 -48.35 62.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -40.29 -42.27 1.5 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 46.2 mmm -65.47 -50.89 63.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.418 ' OE1' HG12 ' A' ' 94' ' ' VAL . 37.6 mt-30 -66.47 -17.46 64.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -83.71 -73.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -104.56 -45.61 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 100.46 -148.67 18.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -145.49 130.66 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -115.12 112.13 22.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.583 ' CG ' HG22 ' A' ' 176' ' ' THR . 13.1 t-20 -57.74 118.56 26.84 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.587 0.708 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -27.64 26.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.321 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.628 HG21 ' HA ' ' A' ' 83' ' ' ARG . 9.7 t -58.4 -42.02 86.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' TYR . . . . . 0.457 ' CE2' ' OD2' ' A' ' 102' ' ' ASP . 0.4 OUTLIER -105.11 58.16 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -95.51 63.36 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -115.97 49.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -73.52 173.15 10.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -128.51 68.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -120.84 -47.68 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 10.5 ptm -39.21 145.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -69.2 114.19 7.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 29.8 t30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -165.29 170.3 14.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 m -124.37 171.46 9.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.73 162.98 14.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.9 p -171.17 170.12 6.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 m -143.24 112.25 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.94 143.45 5.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 146.52 60.59 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.72 2.28 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p -42.03 154.02 0.27 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.553 0.692 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 125.26 11.94 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -92.72 123.59 36.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.6 t -142.33 142.69 32.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -53.82 163.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.425 HD13 ' C ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -51.55 100.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 61' ' ' ALA . 9.5 p -108.18 152.5 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -107.79 124.84 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -98.78 135.91 39.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -118.71 135.91 54.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -77.26 107.59 9.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.1 m -139.48 178.37 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -113.42 156.27 23.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -110.33 109.25 19.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.977 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.643 HD13 HG12 ' A' ' 112' ' ' VAL . 6.3 mp -76.62 -49.36 16.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.604 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 161.46 -171.53 37.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.8 ttp -119.17 128.85 54.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.82 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -139.21 117.5 8.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.928 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.495 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.7 Cg_endo -69.82 160.18 50.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 m -121.85 -177.62 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -116.96 -37.61 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -109.82 143.58 28.19 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.629 0.728 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -32.22 18.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.5 m -129.87 145.59 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.44 118.92 2.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.7 mmt -64.97 -40.38 94.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -51.93 -22.21 3.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -97.91 -43.18 7.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.499 HD21 ' HB3' ' A' ' 98' ' ' ALA . 10.3 tt -58.88 -45.91 89.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -66.19 -37.64 86.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -53.49 -24.27 12.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.82 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -86.43 -35.71 19.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.503 ' HA ' HG21 ' A' ' 112' ' ' VAL . 51.1 mt -59.99 -62.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.674 ' O ' HG22 ' A' ' 46' ' ' THR . 3.3 mm-40 -49.77 -51.39 39.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -39.66 -38.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.604 HD22 ' HA3' ' A' ' 24' ' ' GLY . 9.4 mt -86.71 -47.5 9.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.57 ' HE1' ' HZ3' ' A' ' 114' ' ' TRP . 3.8 mtp -48.52 -47.51 38.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 42' ' ' GLU . 5.7 t -73.69 -29.64 62.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -59.02 -54.85 42.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.1 m -119.6 176.85 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 t -91.83 163.45 14.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.529 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 29.0 tttt -64.65 -18.56 65.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -89.73 -32.87 16.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.1 -31.41 68.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.529 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 2.8 m0 -67.67 111.77 8.48 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.524 0.678 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.12 66.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 79.6 p -86.37 118.3 25.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.0 m -124.89 169.73 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 69' ' ' SER . 3.9 m-20 -98.34 126.38 43.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.481 ' HE2' ' CD1' ' A' ' 113' ' ' PHE . 54.3 ttm -97.32 98.2 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -82.38 107.96 15.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.573 HG13 HG22 ' A' ' 65' ' ' VAL . 84.5 t -107.41 98.43 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.47 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -75.38 -178.31 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -49.28 -59.01 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.81 40.14 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 61' ' ' ALA . 22.9 m -158.74 149.04 19.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.573 HG22 HG13 ' A' ' 60' ' ' VAL . 99.5 t -130.81 102.44 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.8 m -104.91 149.15 25.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.672 HG12 HD12 ' A' ' 77' ' ' LEU . 85.0 t -111.36 113.61 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.7 mt -114.1 150.32 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.492 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 7.9 t -56.37 173.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -76.1 -42.36 47.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 72' ' ' ASN . 12.6 ptmm? -99.16 -52.79 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.403 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 4.1 m120 -63.55 144.34 57.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -104.89 -33.88 8.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -89.08 -12.25 41.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -73.56 92.33 1.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' ' 76' ' ' VAL . 9.4 p -91.8 118.55 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.672 HD12 HG12 ' A' ' 67' ' ' VAL . 16.2 mt -84.67 -46.85 11.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.9 t -144.02 139.15 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -120.2 94.31 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.6 t -104.75 144.49 31.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -122.0 130.93 53.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.452 HG21 ' HB1' ' A' ' 129' ' ' ALA . 77.4 t -42.73 -56.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -38.85 -52.88 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -65.82 -33.62 76.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.748 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.3 tt -41.69 120.21 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.4 t -94.04 -50.74 5.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -150.16 128.73 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.748 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.0 ptp -122.85 139.13 54.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.79 -165.5 23.24 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 96' ' ' THR . 55.1 t -129.01 145.29 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.177 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.52 -165.9 5.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.428 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -46.4 55.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.03 124.01 37.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.778 ' HA ' HG11 ' A' ' 90' ' ' VAL . 18.5 m -52.55 -22.4 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -64.82 -33.09 75.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.835 ' O ' HG13 ' A' ' 90' ' ' VAL . 65.8 p -80.19 150.27 30.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -145.14 115.89 7.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.499 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -130.96 142.25 50.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -135.21 146.33 48.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -96.24 117.98 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.598 ' HE2' HG22 ' A' ' 103' ' ' THR . 25.9 ptm -117.99 145.34 44.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.65 113.56 26.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.598 HG22 ' HE2' ' A' ' 101' ' ' MET . 51.7 p -103.85 -50.23 3.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -120.98 -131.81 4.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 107' ' ' ARG . 32.3 m-20 -59.16 -174.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.451 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 26.1 mt-30 -41.8 -23.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' ASN . 23.7 mtt-85 -67.09 97.76 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.451 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 2.9 m-85 -88.32 151.29 22.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -105.56 133.31 50.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 28.9 t -113.45 110.62 20.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 93.0 m-70 -93.01 135.3 34.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.643 HG12 HD13 ' A' ' 23' ' ' LEU . 40.7 t -113.18 138.21 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.481 ' CD1' ' HE2' ' A' ' 58' ' ' MET . 31.4 m-85 -144.09 127.74 17.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.57 ' HZ3' ' HE1' ' A' ' 45' ' ' MET . 45.0 t-105 -77.49 130.55 37.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 79.0 m -105.58 144.93 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.486 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 11.7 mp0 -129.88 127.99 22.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.695 0.76 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.7 Cg_endo -69.79 -50.28 0.19 OUTLIER 'Cis proline' 0 C--N 1.342 0.234 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.343 -0.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -116.64 -176.36 2.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.477 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -104.94 36.47 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.81 ' HB2' HD11 ' A' ' 164' ' ' LEU . . . -75.91 -49.42 17.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -63.73 -52.84 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.8 t -53.41 -52.26 33.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -60.39 -41.87 94.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -63.21 -41.67 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.22 -51.13 69.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.524 HG22 ' SD ' ' A' ' 88' ' ' MET . 7.7 p -61.49 -42.07 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.412 ' N ' HG13 ' A' ' 126' ' ' VAL . 14.7 tt0 -55.74 -41.46 73.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.14 71.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.452 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -42.81 -45.24 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 131' ' ' SER . 7.6 p -84.14 -48.21 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 130' ' ' CYS . 9.5 t -35.82 -45.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.41 -154.17 52.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 97.21 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 32.7 m -91.99 174.34 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 61.4 m -143.36 106.71 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.83 152.32 20.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 71.2 mt -97.97 126.5 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -105.57 126.16 51.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -127.78 167.62 20.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -71.15 -48.01 54.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 99.32 -98.13 1.92 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.2 t -166.31 160.14 15.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.369 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 81.5 p -126.99 145.56 50.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -172.23 -145.96 5.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 51.8 p -116.06 174.71 5.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.1 m -94.83 145.48 24.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -86.33 -170.86 47.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 18.7 m -137.52 171.81 13.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.5 t -72.99 95.47 2.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -179.03 68.89 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 96.5 p -165.12 154.02 12.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 43.7 t -88.91 85.9 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -153.78 -83.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 43.94 42.31 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -135.99 143.56 44.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -163.01 106.35 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 7.9 p -78.1 140.57 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 9.0 t -73.95 141.57 78.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.563 0.697 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 2.7 3.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.238 . . . . 0.0 112.366 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -85.01 -37.03 20.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.33 -53.06 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -41.89 -50.83 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 166' ' ' LYS . 2.3 t-80 -61.42 -58.94 6.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.81 HD11 ' HB2' ' A' ' 120' ' ' ALA . 8.0 mt -36.83 -53.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 5.3 m -55.18 -37.91 67.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 163' ' ' HIS . 5.8 mmtp -57.48 -32.58 67.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.408 ' O ' ' CA ' ' A' ' 171' ' ' GLY . 81.1 mmm -72.05 -57.87 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.599 ' OE1' HG12 ' A' ' 94' ' ' VAL . 7.9 pt20 -63.43 -28.58 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -69.4 -74.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -103.12 -32.03 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 167' ' ' MET . . . 74.58 -172.61 52.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -135.85 125.54 25.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.458 ' CD ' ' O ' ' A' ' 173' ' ' GLU . 2.4 pp20? -110.84 109.17 19.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.516 ' CG ' HG22 ' A' ' 176' ' ' THR . 9.5 t-20 -34.47 118.37 0.53 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.647 0.737 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -28.19 25.56 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.516 HG22 ' CG ' ' A' ' 174' ' ' ASN . 10.1 t -63.0 -31.73 72.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -87.33 71.03 10.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -112.06 149.17 32.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 1.3 t80 -129.8 -51.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -173.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -126.64 45.86 2.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -75.6 49.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.18 131.75 10.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -121.54 150.09 42.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.544 HG23 ' CA ' ' A' ' 61' ' ' ALA . 14.4 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.757 0.313 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -102.26 140.05 37.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.76 139.92 44.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -123.66 131.08 53.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -74.72 113.1 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.3 m -149.81 171.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -103.42 168.49 9.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -118.14 107.29 13.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 5.8 mp -76.68 -47.42 22.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.04 -161.69 30.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.522 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 32.8 ttp -132.35 131.23 41.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.868 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -130.95 120.63 18.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.89 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.513 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.4 Cg_endo -69.77 144.52 54.27 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.294 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 m -120.69 155.45 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -88.72 -38.33 14.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 -110.69 144.27 29.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -27.63 26.15 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.299 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 87' ' ' PHE . 32.9 m -128.02 166.08 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.13 106.32 2.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.8 mmt -58.14 -24.84 60.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -74.14 -22.6 59.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 98.8 m -90.61 -46.63 8.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.491 HD23 ' C ' ' A' ' 37' ' ' LEU . 8.0 tt -59.28 -50.0 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.14 -24.99 65.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.481 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 31.2 t -71.89 -18.42 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.868 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -93.15 -26.04 17.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.539 HG23 HG11 ' A' ' 112' ' ' VAL . 22.2 mt -65.0 -60.3 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.528 ' O ' HG23 ' A' ' 46' ' ' THR . 7.8 mm-40 -53.87 -41.09 67.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 39' ' ' SER . 93.0 m-20 -49.89 -46.32 51.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.4 mt -74.7 -42.05 59.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.405 ' HE2' HD21 ' A' ' 23' ' ' LEU . 3.5 mtt -55.54 -38.56 69.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 42' ' ' GLU . 74.2 p -63.94 -49.98 70.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 t -55.69 -68.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 p -101.48 146.63 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.419 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.1 m -87.46 -177.96 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.515 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 37.3 tttm -60.67 -48.27 82.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.34 -19.71 60.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -72.29 -25.53 61.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.515 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 5.6 m0 -78.33 120.43 81.07 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.51 0.672 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 149.16 66.26 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.691 2.261 . . . . 0.0 112.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -81.28 123.43 28.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.612 HG11 ' CD1' ' A' ' 77' ' ' LEU . 11.3 m -135.74 155.66 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -96.13 122.8 39.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 49.2 ttm -89.76 102.77 15.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.747 ' ND2' HD12 ' A' ' 68' ' ' ILE . 11.5 m-80 -88.9 113.08 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.796 HG13 HG22 ' A' ' 65' ' ' VAL . 60.5 t -111.94 103.28 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.544 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -80.96 179.82 7.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -40.71 -70.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.56 40.53 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.461 HG23 ' CG ' ' A' ' 81' ' ' ARG . 4.6 m -154.83 151.46 28.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.796 HG22 HG13 ' A' ' 60' ' ' VAL . 71.6 t -134.03 101.08 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.105 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -102.38 139.18 38.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' A' ' 77' ' ' LEU . 95.8 t -103.39 113.29 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.747 HD12 ' ND2' ' A' ' 59' ' ' ASN . 64.4 mt -112.04 143.64 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 t -79.94 169.54 17.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -86.5 -39.53 16.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 ptpt -58.37 -27.42 64.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -150.1 156.43 41.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -95.82 -33.99 12.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' A' ' 74' ' ' GLU . 1.4 pm0 -77.28 -6.04 51.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 76' ' ' VAL . 4.9 tp10 -78.84 110.98 14.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.498 ' N ' ' OE1' ' A' ' 75' ' ' GLU . 49.1 t -100.62 97.7 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.612 ' CD1' HG11 ' A' ' 56' ' ' VAL . 72.8 mt -66.0 -42.79 89.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 86.5 t -154.73 131.29 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -108.0 98.7 8.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 36.9 t -108.12 146.29 32.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.461 ' CG ' HG23 ' A' ' 64' ' ' THR . 18.9 mtp85 -123.67 131.53 53.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.1 t -49.81 -35.04 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -61.54 -38.48 87.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -79.25 -30.79 43.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.713 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.7 tt -47.54 112.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.2 p -88.35 -45.47 9.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.458 ' HB2' HG12 ' A' ' 32' ' ' VAL . 47.7 t80 -152.04 143.66 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.713 ' HB3' HD21 ' A' ' 85' ' ' LEU . 4.5 ptp -138.93 140.51 38.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.52 176.88 34.56 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 91' ' ' GLY . 25.0 t -114.86 141.13 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 111.109 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.445 ' O ' HG12 ' A' ' 90' ' ' VAL . . . -66.65 167.14 38.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' GLY . 29.3 tptt -37.49 -30.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 91' ' ' GLY . 3.6 m-20 -98.76 150.15 22.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.7 m -86.48 4.66 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.409 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 5.6 m80 -102.61 7.48 39.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.441 ' O ' HG13 ' A' ' 90' ' ' VAL . 33.8 p -125.84 148.06 49.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.496 ' CZ ' HG11 ' A' ' 126' ' ' VAL . 31.8 t80 -140.02 121.45 15.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.544 ' HB2' HG13 ' A' ' 112' ' ' VAL . . . -131.59 136.9 48.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.084 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 6.6 p90 -134.6 141.94 46.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.4 mt -100.68 119.94 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.2 ptm -112.43 162.67 15.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -92.95 118.8 31.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 77.0 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -179.882 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -119.81 145.14 46.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -107.37 152.21 24.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.1 t -128.83 108.93 10.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 71.5 m-70 -95.12 147.95 22.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.544 HG13 ' HB2' ' A' ' 98' ' ' ALA . 2.3 t -123.01 147.0 27.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -145.22 130.01 18.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 45.9 t-105 -79.84 123.75 28.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 60.7 m -103.25 137.67 41.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 10.8 mm-40 -125.94 129.78 24.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.2 Cg_endo -69.79 -46.14 0.38 Allowed 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.331 0.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.66 -175.82 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.57 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -102.9 47.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.598 ' N ' HD21 ' A' ' 164' ' ' LEU . . . -83.53 -47.28 11.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -77.38 -32.16 54.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 50.5 t -71.84 -67.55 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.6 p -52.87 -19.02 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -80.44 -35.24 35.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.4 -49.71 21.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.4 p -59.22 -48.39 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.531 ' HA ' ' HE3' ' A' ' 88' ' ' MET . 6.5 pt20 -62.6 -42.73 99.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . -71.87 -24.68 61.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.14 -32.96 71.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.065 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 3.4 t60 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.863 0.364 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.598 HD21 ' N ' ' A' ' 120' ' ' ALA . 11.9 mt -43.25 -30.32 0.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 36.1 m -70.18 -51.94 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -46.94 -46.33 21.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 63.8 mmm -54.86 -46.31 74.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -80.26 6.37 12.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -105.59 -70.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -107.01 -25.96 11.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 74.12 -169.94 53.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.447 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -130.4 111.07 11.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.971 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -96.1 113.06 24.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 25.1 t30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.749 0.309 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -110.7 131.64 54.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -97.1 144.76 26.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -133.07 125.67 30.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -69.65 118.95 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 115' ' ' CYS . 33.5 m -154.04 -178.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -118.61 164.32 15.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -115.72 108.78 16.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.55 HD23 ' HG2' ' A' ' 45' ' ' MET . 6.3 mp -74.88 -38.81 61.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 145.92 -170.84 27.04 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.412 ' O ' HD21 ' A' ' 44' ' ' LEU . 9.1 tmm? -117.31 141.08 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.756 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.5 OUTLIER -144.91 118.51 5.56 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.587 0.708 . . . . 0.0 110.944 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.39 54.14 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.368 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.7 m -117.81 153.1 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -84.17 -35.21 23.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -112.94 144.79 31.75 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -26.2 27.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.249 . . . . 0.0 112.28 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.875 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.1 m -134.75 173.3 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.11 102.72 2.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.6 mmt -42.44 -54.37 3.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -45.86 -41.54 11.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.1 m -72.21 -41.33 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 98' ' ' ALA . 10.2 tt -62.05 -54.73 37.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -57.85 -32.26 67.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.9 t -58.77 -29.93 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.756 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -81.25 -28.4 34.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.51 HG23 HG11 ' A' ' 112' ' ' VAL . 10.7 mt -68.45 -60.65 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -52.72 -49.15 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -41.64 -39.94 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.412 HD21 ' O ' ' A' ' 25' ' ' MET . 10.5 mt -82.61 -57.47 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.55 ' HG2' HD23 ' A' ' 23' ' ' LEU . 6.0 mtt -41.8 -39.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.5 p -62.9 -52.61 62.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.1 t -62.34 -73.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.8 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.5 m -82.21 156.62 24.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -104.37 174.69 5.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 20.3 tttm -61.2 -20.62 62.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -94.35 -21.23 19.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -75.54 -22.89 56.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 4.1 m0 -77.14 112.71 24.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 53' ' ' TRP . 53.4 Cg_endo -69.79 144.32 53.5 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.3 m -75.87 127.35 32.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.9 m -138.5 166.89 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -105.32 116.9 32.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.496 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 39.7 ttm -82.79 99.82 9.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.528 ' ND2' HD12 ' A' ' 68' ' ' ILE . 7.5 m-80 -81.27 110.03 16.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.568 HG13 HG22 ' A' ' 65' ' ' VAL . 58.9 t -108.47 99.37 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.5 -175.39 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -46.29 -72.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HA ' HG21 ' A' ' 82' ' ' VAL . . . -121.11 32.41 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.54 HG23 ' HG2' ' A' ' 81' ' ' ARG . 5.0 m -151.08 127.2 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.568 HG22 HG13 ' A' ' 60' ' ' VAL . 73.2 t -113.94 107.79 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -109.34 148.83 30.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.429 ' CG1' HD12 ' A' ' 77' ' ' LEU . 17.7 t -111.23 123.32 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.528 HD12 ' ND2' ' A' ' 59' ' ' ASN . 45.3 mt -122.29 149.55 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.7 t -62.61 163.67 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -64.21 -46.66 82.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -89.71 -65.81 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -59.02 133.07 55.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.411 ' O ' HG21 ' A' ' 68' ' ' ILE . 10.7 pt-20 -91.27 -42.32 10.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.62 -29.81 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -51.57 102.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 76' ' ' VAL . 3.0 p -105.66 107.69 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.429 HD12 ' CG1' ' A' ' 67' ' ' VAL . 7.2 mt -79.19 -52.41 8.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.8 t -129.81 146.64 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -134.51 94.86 3.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.424 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 50.2 t -107.27 146.62 31.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.54 ' HG2' HG23 ' A' ' 64' ' ' THR . 54.1 mtt85 -116.83 124.45 49.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' A' ' 130' ' ' CYS . 57.5 t -35.6 -52.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -57.69 -43.18 84.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' ARG . 3.7 m-85 -69.27 -20.52 63.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 88' ' ' MET . 4.6 tt -54.75 110.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 87' ' ' PHE . 13.7 p -73.9 -60.51 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.875 ' HB2' HG12 ' A' ' 32' ' ' VAL . 68.6 t80 -154.09 127.59 8.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.601 ' HB3' HD21 ' A' ' 85' ' ' LEU . 5.4 ptp -110.93 157.25 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.51 172.36 44.88 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 96' ' ' THR . 55.5 t -117.01 138.09 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.404 ' O ' HG12 ' A' ' 90' ' ' VAL . . . -66.56 174.36 23.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -47.8 -21.3 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.99 136.34 48.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.421 ' HB ' HD13 ' A' ' 164' ' ' LEU . 11.1 m -71.92 -11.35 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.415 ' HB3' ' CZ2' ' A' ' 114' ' ' TRP . 18.7 m80 -87.46 17.56 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.512 ' O ' HG13 ' A' ' 90' ' ' VAL . 30.8 p -138.42 147.55 43.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -144.48 117.51 8.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.484 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -127.52 139.0 53.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.424 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 15.8 p90 -132.81 142.72 49.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.7 mt -99.84 114.47 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.438 ' SD ' ' C ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -107.07 167.48 9.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 102' ' ' ASP . 0.3 OUTLIER -106.31 115.87 30.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.7 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -127.69 133.33 49.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.37 148.43 27.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.9 t -125.16 107.24 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -93.58 149.17 21.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.51 HG11 HG23 ' A' ' 41' ' ' ILE . 3.7 t -124.09 143.58 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.496 ' CG ' ' CE ' ' A' ' 58' ' ' MET . 30.5 m-85 -144.11 130.22 19.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.415 ' CZ2' ' HB3' ' A' ' 95' ' ' HIS . 38.3 t-105 -84.49 121.9 28.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.573 ' SG ' HG21 ' A' ' 122' ' ' VAL . 72.6 m -93.98 166.17 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.448 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 45.9 mt-10 -151.77 124.13 3.99 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.625 0.726 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 54.3 Cg_endo -69.68 -47.35 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.747 -1.772 . . . . 0.0 112.362 -0.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.528 ' OD1' HD11 ' A' ' 164' ' ' LEU . 3.4 p30 -124.15 -175.44 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -102.03 51.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.41 ' N ' ' OD1' ' A' ' 118' ' ' ASN . . . -81.7 -51.04 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -79.25 -34.61 42.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.573 HG21 ' SG ' ' A' ' 115' ' ' CYS . 55.2 t -60.84 -57.03 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.2 m -68.1 -29.89 68.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.87 -38.72 83.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.03 -52.88 36.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.2 p -61.32 -46.96 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.515 ' N ' HG13 ' A' ' 126' ' ' VAL . 38.0 tt0 -55.03 -51.57 65.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.19 -28.05 63.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.09 -34.66 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.503 ' HA ' HG11 ' A' ' 82' ' ' VAL . 96.8 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 13.6 t60 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.801 0.334 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.528 HD11 ' OD1' ' A' ' 118' ' ' ASN . 48.9 mt -47.81 -52.82 17.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 67.8 m -48.55 -47.74 39.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt -55.3 -30.68 60.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 45.3 mmm -73.63 -43.15 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -82.14 -2.33 51.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -95.25 -71.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -112.06 -33.8 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 85.07 -172.43 47.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . 0.484 ' CD2' ' HG3' ' A' ' 127' ' ' GLN . 10.0 t80 -118.43 117.7 29.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.346 . . . . 0.0 110.902 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -99.3 113.71 26.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.682 0.753 . . . . 0.0 110.889 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.74 HG22 ' HB2' ' A' ' 61' ' ' ALA . 47.3 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.812 0.339 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' N ' ' CG1' ' A' ' 15' ' ' VAL . 32.2 mt-30 -102.94 113.45 26.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -94.51 119.06 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -108.13 124.46 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.46 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 8.7 tpp85 -65.58 123.07 18.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 19' ' ' ARG . 18.1 m -159.45 163.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -104.1 151.25 23.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -103.38 108.91 20.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.518 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 5.5 mp -73.35 -42.89 61.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.89 -172.68 30.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.496 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 25.9 ttp -116.75 138.33 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.535 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.7 OUTLIER -142.91 117.79 6.43 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.535 ' N ' HD13 ' A' ' 26' ' ' LEU . 53.7 Cg_endo -69.79 152.1 69.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.266 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.5 m -123.21 175.36 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -108.73 -31.04 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -113.31 145.67 33.71 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.506 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.3 Cg_endo -69.78 -29.94 22.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.845 HG12 ' HB2' ' A' ' 87' ' ' PHE . 20.4 m -138.47 153.48 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.3 108.99 0.99 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.8 mmt -53.11 -48.02 68.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -49.69 -26.02 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 87.3 m -94.51 -44.41 7.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.457 HD23 ' C ' ' A' ' 37' ' ' LEU . 9.2 tt -55.45 -47.43 76.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -70.23 -41.73 73.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.6 t -52.33 -19.6 2.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -89.92 -27.82 19.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.468 ' CD1' ' HA3' ' A' ' 91' ' ' GLY . 51.2 mt -65.75 -55.57 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -55.1 -51.43 66.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -39.1 -48.22 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 mt -74.52 -54.98 6.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.448 ' HG2' HD23 ' A' ' 23' ' ' LEU . 6.0 mtt -42.28 -42.05 2.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.4 p -63.54 -47.69 80.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.165 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.4 t -63.61 -69.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.3 m -90.15 145.65 24.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 m -96.43 164.09 12.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.811 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.469 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.0 tptp -43.89 -50.3 8.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.36 -28.23 66.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.7 -26.42 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.518 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 2.0 m0 -79.78 117.23 66.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.55 0.691 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 155.88 64.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.737 2.292 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 p -89.59 114.8 26.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.4 m -121.36 179.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -120.31 130.98 54.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.5 ttm -86.98 98.13 11.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.62 ' OD1' HD12 ' A' ' 68' ' ' ILE . 9.4 m-80 -81.64 94.95 7.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 65' ' ' VAL . 66.2 t -96.32 101.01 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.74 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -101.93 174.28 6.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.074 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -41.23 99.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 54.96 46.14 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.9 m -158.79 143.64 16.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 60' ' ' VAL . 75.5 t -136.58 105.32 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.0 m -111.35 148.28 33.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.714 HG12 HD12 ' A' ' 77' ' ' LEU . 40.2 t -107.86 125.18 64.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.62 HD12 ' OD1' ' A' ' 59' ' ' ASN . 32.1 mt -122.44 143.33 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -71.54 119.44 15.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -43.26 -26.36 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -77.94 -66.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 73' ' ' GLU . 64.4 t-20 -101.7 144.8 29.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.555 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.3 mp0 -82.0 -60.48 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -54.03 -19.52 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -67.7 88.57 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 76' ' ' VAL . 10.5 p -91.02 105.23 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.714 HD12 HG12 ' A' ' 67' ' ' VAL . 17.6 mt -70.93 -61.3 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.5 t -127.63 152.4 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -132.86 95.65 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.8 t -107.43 147.93 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 82' ' ' VAL . 23.6 mtt-85 -127.58 119.4 25.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 81' ' ' ARG . 44.6 t -34.66 -61.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -39.14 -43.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 85' ' ' LEU . 38.8 m-85 -72.92 -40.48 65.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.2 tt -35.58 122.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 81.3 p -92.13 -42.52 9.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.845 ' HB2' HG12 ' A' ' 32' ' ' VAL . 71.1 t80 -160.2 134.98 7.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.621 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.8 ptp -128.28 144.28 51.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -158.08 -167.88 19.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.594 HG11 ' HA ' ' A' ' 94' ' ' VAL . 62.2 t -126.93 129.16 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.381 . . . . 0.0 111.111 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.468 ' HA3' ' CD1' ' A' ' 41' ' ' ILE . . . -54.84 -171.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -54.65 -29.14 51.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.18 133.48 52.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.787 ' HB ' HD13 ' A' ' 164' ' ' LEU . 3.7 m -60.33 -23.24 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -68.19 -20.45 64.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.576 ' O ' HG13 ' A' ' 90' ' ' VAL . 69.6 p -96.01 150.82 20.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -147.86 113.33 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.433 ' HB2' HG13 ' A' ' 112' ' ' VAL . . . -121.99 152.95 39.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -144.62 137.76 26.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.5 mt -99.62 116.81 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.5 ptm -109.4 162.8 14.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -114.78 108.75 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.179 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 107' ' ' ARG . 6.0 ptm180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.861 0.363 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.506 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 5.5 m-85 -110.99 148.69 31.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -106.64 126.53 52.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.4 t -104.2 104.61 14.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.496 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 86.3 m-70 -96.85 130.68 44.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.433 HG13 ' HB2' ' A' ' 98' ' ' ALA . 2.8 t -110.5 144.56 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.489 ' CZ ' HG21 ' A' ' 67' ' ' VAL . 77.9 m-85 -143.1 124.89 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -73.31 117.63 15.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 74.4 m -91.6 161.17 15.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 14.5 mt-10 -147.15 127.95 7.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.714 . . . . 0.0 110.909 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.3 Cg_endo -69.75 -46.45 0.36 Allowed 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.362 -0.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.33 -175.71 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.686 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -100.7 40.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.99 -52.29 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -67.28 -53.72 27.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 80.6 t -53.42 -57.53 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.3 p -56.88 -39.11 73.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -62.97 -42.34 99.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.95 88.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.3 p -70.91 -41.22 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.419 ' N ' HG13 ' A' ' 126' ' ' VAL . 40.2 tt0 -59.07 -50.47 73.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.54 90.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.97 -47.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 71.7 m . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 6.2 t60 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.787 HD13 ' HB ' ' A' ' 94' ' ' VAL . 19.5 mt -46.41 -43.87 16.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 4.3 m -53.89 -55.34 27.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -43.16 -44.02 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 9.7 mtp -61.36 -40.8 95.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.12 -23.03 57.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -77.84 -73.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -102.31 -35.2 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 87.88 -160.42 31.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -132.71 122.89 25.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -105.38 107.23 18.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.481 HG23 ' CA ' ' A' ' 61' ' ' ALA . 9.9 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.742 0.306 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -124.9 145.27 49.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.429 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -107.39 158.73 16.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -137.74 125.84 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -66.81 110.24 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -149.02 -175.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -123.73 165.89 16.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -117.34 115.29 24.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.476 ' H ' HD12 ' A' ' 23' ' ' LEU . 4.8 mp -80.23 -43.92 20.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.566 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 152.34 178.42 27.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 26' ' ' LEU . 11.6 tmm? -106.05 138.99 41.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.709 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -140.64 117.34 7.8 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.608 0.718 . . . . 0.0 110.952 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.478 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.5 Cg_endo -69.76 148.96 66.23 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.74 139.22 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -89.27 -1.51 58.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 mmt-85 -126.46 132.83 24.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.726 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -28.92 24.46 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.631 2.221 . . . . 0.0 112.327 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.716 HG12 ' HB2' ' A' ' 87' ' ' PHE . 15.7 m -135.33 -175.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.02 113.79 3.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.6 mmt -61.02 -30.77 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.44 -17.24 63.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.7 m -98.23 -45.3 6.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tt -59.15 -50.73 72.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -64.45 -32.14 73.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.2 t -63.88 -20.42 65.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.709 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -88.59 -19.14 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.7 mt -75.09 -61.89 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 46' ' ' THR . 3.4 mp0 -53.12 -35.51 59.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -55.56 -39.07 70.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.566 HD22 ' HA3' ' A' ' 24' ' ' GLY . 48.8 mt -81.95 -44.63 16.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 mtt -55.6 -46.26 77.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 42' ' ' GLU . 71.9 p -60.52 -35.14 75.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 t -73.88 -66.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.0 m -103.68 154.66 19.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.7 m -95.39 175.37 6.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 13.3 tptm -57.92 -51.05 71.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -67.45 -19.72 65.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.69 -23.44 56.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 12.0 m0 -76.87 120.53 82.06 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.582 0.705 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 131.14 20.68 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.756 2.304 . . . . 0.0 112.31 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.2 m -68.86 122.99 19.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.0 m -132.16 -175.38 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -124.32 124.03 41.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 29.7 ttm -87.24 107.13 18.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.473 ' ND2' HD12 ' A' ' 68' ' ' ILE . 5.1 m-80 -91.08 116.3 28.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.692 HG13 HG22 ' A' ' 65' ' ' VAL . 98.3 t -117.85 101.88 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.481 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -81.67 -176.07 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -45.91 -70.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.522 ' O ' HG22 ' A' ' 82' ' ' VAL . . . -118.64 43.13 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 61' ' ' ALA . 4.7 m -160.66 149.24 16.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.123 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.692 HG22 HG13 ' A' ' 60' ' ' VAL . 49.6 t -133.44 100.11 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.0 m -102.54 149.05 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.857 HG12 HD12 ' A' ' 77' ' ' LEU . 53.3 t -113.32 117.75 56.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.473 HD12 ' ND2' ' A' ' 59' ' ' ASN . 40.4 mt -112.13 149.12 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 75' ' ' GLU . 5.2 t -91.06 148.8 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.73 -21.71 65.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -67.27 -61.01 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -127.05 134.86 50.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.42 -25.81 67.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.25 1.96 53.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.472 ' CD ' ' CB ' ' A' ' 69' ' ' SER . 56.7 tt0 -83.63 82.53 8.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.711 HG13 ' O ' ' A' ' 76' ' ' VAL . 10.2 p -79.81 87.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.857 HD12 HG12 ' A' ' 67' ' ' VAL . 12.9 mt -52.79 -57.97 8.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 79' ' ' GLU . 79.3 t -137.63 154.9 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.452 ' N ' HG12 ' A' ' 78' ' ' VAL . 42.2 tt0 -128.42 96.16 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.1 t -99.77 147.21 25.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -132.62 132.09 42.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 63' ' ' ALA . 3.7 m -53.95 -40.15 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -73.51 2.28 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -123.39 -13.58 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.49 128.7 37.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 t -93.22 -50.68 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.716 ' HB2' HG12 ' A' ' 32' ' ' VAL . 89.1 t80 -152.19 144.6 24.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.6 ptp -137.8 157.05 47.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.59 173.78 46.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 96' ' ' THR . 56.3 t -107.53 144.5 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.887 0.375 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.53 -160.82 1.41 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -62.81 -39.92 95.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.772 0.32 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -98.87 138.1 36.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.4 m -64.73 -8.39 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -82.32 -19.38 39.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.712 ' O ' HG13 ' A' ' 90' ' ' VAL . 59.1 p -98.89 149.09 23.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -149.31 118.76 6.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.687 ' CB ' HG22 ' A' ' 112' ' ' VAL . . . -130.29 144.56 51.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -131.48 155.57 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.1 mt -111.7 115.25 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.411 ' SD ' ' C ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -110.36 165.6 11.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.516 ' OD2' ' CE1' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -109.74 117.26 33.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.836 0.351 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.516 ' CE1' ' OD2' ' A' ' 102' ' ' ASP . 9.4 m-85 -111.24 149.28 31.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -114.31 138.98 49.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.3 t -106.64 100.87 10.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -95.56 136.44 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.687 HG22 ' CB ' ' A' ' 98' ' ' ALA . 12.0 t -123.48 150.31 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -148.6 133.02 17.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.553 ' CE3' HG22 ' A' ' 96' ' ' THR . 35.5 t-105 -82.57 111.18 18.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 87.9 m -83.34 158.4 22.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.504 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 15.6 mt-10 -148.46 127.96 6.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.646 0.736 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.6 Cg_endo -69.8 -49.99 0.21 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.376 0.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.99 -175.76 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -105.97 47.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.462 ' O ' ' CB ' ' A' ' 124' ' ' GLU . . . -85.91 -46.3 10.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -75.94 -40.85 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.97 -66.2 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.6 m -58.74 -11.88 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 120' ' ' ALA . 17.1 tt0 -88.09 -35.76 17.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.73 -35.56 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.605 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.1 p -70.41 -52.22 31.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.605 ' N ' HG13 ' A' ' 126' ' ' VAL . 5.6 pt20 -50.14 -45.17 52.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.452 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . -72.17 -33.15 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.65 -20.77 61.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 85.2 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 49.2 t60 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 73.7 mt -71.41 -28.54 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 35.3 m -76.24 -58.34 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . 0.537 ' CG ' ' N ' ' A' ' 167' ' ' MET . 5.9 ptmt -39.68 -49.84 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.537 ' N ' ' CG ' ' A' ' 166' ' ' LYS . 0.0 OUTLIER -50.39 -43.54 54.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -82.44 -15.52 52.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -80.18 -72.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -119.83 -31.23 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 99.65 -145.32 17.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -150.68 109.33 3.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.37 . . . . 0.0 110.944 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -90.21 105.48 17.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 12.6 t-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.478 HG23 ' C ' ' A' ' 60' ' ' VAL . 7.2 p . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.835 0.35 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -104.93 117.34 33.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.4 146.96 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -134.33 134.53 41.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -78.19 111.08 13.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 115' ' ' CYS . 33.0 m -142.73 179.82 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -118.23 166.54 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -116.12 107.75 15.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.83 HD13 HG12 ' A' ' 112' ' ' VAL . 5.5 mp -73.63 -42.37 61.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.48 179.68 25.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.6 ' SD ' ' CE1' ' A' ' 111' ' ' HIS . 2.9 tpt -105.62 133.83 49.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.478 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -147.9 116.17 4.12 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.626 0.727 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.441 ' N ' HD13 ' A' ' 26' ' ' LEU . 53.9 Cg_endo -69.77 159.46 53.31 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.373 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.5 m -126.25 158.72 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -84.62 -38.05 20.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -115.45 143.01 29.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -17.29 37.69 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' A' ' 87' ' ' PHE . 27.8 m -139.47 162.5 26.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.68 102.75 2.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.4 mmt -48.27 -44.56 33.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -49.99 -37.91 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.1 m -82.87 -42.45 17.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.17 -44.04 78.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.1 m-80 -70.01 -48.78 56.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -41.04 -27.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.478 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -83.15 -42.32 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.431 HG23 HG11 ' A' ' 112' ' ' VAL . 71.3 mt -53.66 -54.85 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -55.92 -50.92 69.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -37.54 -55.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' SER . 13.5 mt -70.94 -51.41 26.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' LEU . 7.9 mmt -36.62 -55.88 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.6 p -59.71 -35.96 75.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' LEU . 7.7 t -62.78 -65.44 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 m -106.38 143.2 34.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.1 m -79.97 161.72 25.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -47.77 -42.02 24.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.66 -35.94 62.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -54.27 -37.2 64.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.475 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 4.6 m0 -61.63 119.43 47.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 132.54 23.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.9 m -66.06 120.38 13.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.1 m -127.0 166.08 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -110.01 121.8 46.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.448 ' HE1' ' CD2' ' A' ' 113' ' ' PHE . 41.4 ttm -89.23 102.97 15.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.499 ' ND2' HD12 ' A' ' 68' ' ' ILE . 4.2 m-80 -90.91 110.18 21.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.478 ' C ' HG23 ' A' ' 15' ' ' VAL . 92.5 t -104.14 101.33 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -95.4 175.95 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -47.0 102.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 56.17 43.52 26.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' ALA . 37.6 m -161.52 138.31 8.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.406 HG22 HG22 ' A' ' 60' ' ' VAL . 92.7 t -128.59 96.51 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -96.79 135.62 38.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.0 t -97.59 110.77 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.499 HD12 ' ND2' ' A' ' 59' ' ' ASN . 96.4 mt -109.5 147.5 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -83.11 160.62 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -39.84 65.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -54.15 -62.19 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -114.45 171.32 7.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -97.89 -44.84 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.52 -37.17 86.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.658 ' OE2' HD23 ' A' ' 77' ' ' LEU . 20.7 tp10 -43.14 100.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 76' ' ' VAL . 5.7 p -106.85 88.13 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.092 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.658 HD23 ' OE2' ' A' ' 75' ' ' GLU . 19.9 mt -55.02 -52.16 64.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.52 HG11 ' CE1' ' A' ' 111' ' ' HIS . 59.2 t -138.99 140.34 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -119.19 96.99 5.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.467 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 46.8 t -103.57 148.23 26.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 82' ' ' VAL . 19.6 ttt180 -127.38 121.28 30.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' ARG . 95.5 t -33.6 -61.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -41.82 -46.65 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' ARG . 11.5 m-85 -66.33 -43.09 87.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.449 HD13 ' HE1' ' A' ' 88' ' ' MET . 3.0 tt -40.97 112.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.2 p -78.23 -39.84 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.557 ' HB2' HG12 ' A' ' 32' ' ' VAL . 49.8 t80 -165.95 131.26 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.453 ' HE1' HG22 ' A' ' 126' ' ' VAL . 21.7 ptp -114.93 154.15 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.25 165.45 38.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.751 HG11 ' HA ' ' A' ' 94' ' ' VAL . 84.1 t -108.89 146.41 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.47 -174.48 38.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -42.9 -47.49 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -94.34 117.02 29.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.751 ' HA ' HG11 ' A' ' 90' ' ' VAL . 3.9 m -46.81 -40.85 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.416 ' N ' ' CG2' ' A' ' 94' ' ' VAL . 16.7 m80 -43.01 -37.84 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.591 ' O ' HG13 ' A' ' 90' ' ' VAL . 27.5 p -75.41 159.45 31.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -158.35 114.75 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.486 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -130.04 153.32 48.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.062 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.467 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 42.6 p90 -138.05 140.73 40.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.3 mt -96.16 111.26 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.674 ' SD ' HG23 ' A' ' 103' ' ' THR . 0.6 OUTLIER -111.74 167.36 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -119.85 105.14 10.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.948 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.674 HG23 ' SD ' ' A' ' 101' ' ' MET . 17.2 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.8 mtt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.79 0.328 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -109.02 141.53 41.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -109.7 145.57 36.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.8 t -120.38 112.57 19.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.6 ' CE1' ' SD ' ' A' ' 25' ' ' MET . 88.4 m-70 -95.57 128.14 42.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.83 HG12 HD13 ' A' ' 23' ' ' LEU . 27.6 t -108.48 136.46 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.466 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 55.7 m-85 -142.29 125.11 16.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -76.21 127.47 32.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.516 ' HA ' HG12 ' A' ' 20' ' ' VAL . 68.0 m -104.98 143.75 32.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 13.2 mp0 -129.48 131.37 23.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.681 0.753 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.6 Cg_endo -69.76 -47.87 0.29 Allowed 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.325 -0.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.24 -178.95 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.736 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -96.17 44.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 124' ' ' GLU . . . -81.56 -49.94 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -72.94 -56.35 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.7 t -49.01 -56.94 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 t -62.92 -38.6 91.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 120' ' ' ALA . 21.5 tt0 -63.57 -32.07 73.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.3 -58.0 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.1 p -56.33 -44.01 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.468 ' N ' HG13 ' A' ' 126' ' ' VAL . 43.7 tt0 -60.89 -45.77 93.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.76 -48.81 73.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.29 -42.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 91.3 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.917 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 3.7 t60 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.837 0.351 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.736 HD21 ' C ' ' A' ' 119' ' ' ALA . 10.5 mt -40.86 -39.41 1.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 6.1 m -65.66 -47.78 74.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -59.05 -27.85 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 96.9 mmm -72.09 -53.35 13.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.464 ' OE1' HG12 ' A' ' 94' ' ' VAL . 8.6 pt20 -70.97 -23.79 62.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -72.8 -66.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -113.77 -30.93 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 79.72 -159.1 43.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . 0.537 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 69.4 t80 -136.55 144.64 44.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -118.03 122.63 43.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 24.6 t30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.653 0.74 . . . . 0.0 110.853 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.421 HG23 ' C ' ' A' ' 60' ' ' VAL . 7.3 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.749 0.309 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -116.97 121.68 42.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -90.92 143.92 26.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -135.38 129.96 34.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -74.07 120.82 20.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 115' ' ' CYS . 27.2 m -152.36 -178.6 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -121.04 155.23 34.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -106.7 118.17 35.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.526 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 6.3 mp -82.76 -43.23 17.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.19 -176.13 30.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.7 ttp -111.41 134.74 52.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.704 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -140.13 116.83 8.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.649 0.737 . . . . 0.0 110.92 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 151.08 69.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.5 m -121.82 168.27 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.82 -39.91 8.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -110.13 144.03 29.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.657 0.742 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.514 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.79 -25.22 28.7 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.651 HG12 ' HB2' ' A' ' 87' ' ' PHE . 34.4 m -135.34 150.92 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.77 98.03 0.78 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.6 mmt -44.27 -45.58 8.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.89 -42.66 48.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.1 m -73.11 -42.0 63.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.183 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.906 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.5 tt -59.33 -45.94 89.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -63.11 -39.7 95.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 t -57.77 -17.34 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.704 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -92.23 -33.53 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.06 -55.41 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 44' ' ' LEU . 38.4 mt-10 -57.9 -57.25 13.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLU . 39.0 m-20 -36.23 -29.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 42' ' ' GLU . 50.3 mt -90.26 -40.51 12.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.531 ' HE2' ' CH2' ' A' ' 53' ' ' TRP . 4.0 mtt -63.88 -43.98 94.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 t -61.09 -27.28 68.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.9 p -86.3 -63.22 1.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.9 m -97.37 147.61 24.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.51 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 3.0 m -92.03 170.02 10.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 30.7 tttt -55.03 -41.9 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -71.94 -31.93 66.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.25 -28.03 68.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.531 ' CH2' ' HE2' ' A' ' 45' ' ' MET . 2.0 m0 -76.39 114.18 35.75 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.544 0.688 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.95 20.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 m -95.25 125.0 39.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.0 m -133.67 156.96 42.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -98.55 120.01 38.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.534 ' HG2' HG23 ' A' ' 60' ' ' VAL . 48.6 ttm -87.61 105.58 17.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -89.94 97.5 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.534 HG23 ' HG2' ' A' ' 58' ' ' MET . 92.7 t -97.0 99.1 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.15 -179.78 6.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -49.3 -63.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -123.56 36.36 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 m -154.36 151.14 28.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 83.4 t -134.44 98.81 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -102.97 147.72 26.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.7 t -112.33 117.13 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.61 HG21 ' HA ' ' A' ' 73' ' ' GLU . 93.6 mt -111.77 127.94 68.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -66.85 126.5 29.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -43.8 -28.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -55.51 -62.62 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -131.33 163.16 28.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.61 ' HA ' HG21 ' A' ' 68' ' ' ILE . 30.0 tt0 -85.01 -27.09 26.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.84 -4.29 58.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -87.43 96.73 10.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 81.7 t -95.99 95.9 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.54 -39.93 92.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.472 HG11 ' CD2' ' A' ' 111' ' ' HIS . 99.4 t -150.54 144.9 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -124.54 100.64 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.8 t -107.01 148.11 29.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' PHE . 17.5 mtp85 -128.64 120.99 27.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.624 HG13 ' SG ' ' A' ' 130' ' ' CYS . 98.9 t -38.15 -38.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -63.9 -43.53 95.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 81' ' ' ARG . 34.5 m-85 -72.67 -37.23 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.445 ' O ' ' CG ' ' A' ' 174' ' ' ASN . 1.3 tt -42.58 137.94 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.7 p -105.22 -44.5 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.651 ' HB2' HG12 ' A' ' 32' ' ' VAL . 40.6 t80 -160.18 145.1 14.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.5 ptp -135.83 146.87 47.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -163.14 -178.0 36.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.485 HG11 ' HA ' ' A' ' 94' ' ' VAL . 76.4 t -119.9 140.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.48 -179.63 41.86 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -41.62 -46.12 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.747 0.308 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -92.17 123.47 35.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.485 ' HA ' HG11 ' A' ' 90' ' ' VAL . 13.2 m -60.81 -19.66 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -66.66 -19.52 65.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.566 HG22 ' CE3' ' A' ' 114' ' ' TRP . 30.1 p -99.09 160.82 13.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -154.13 116.06 4.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.906 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -122.83 157.22 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 5.1 p90 -153.19 138.54 17.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.3 mt -96.76 118.56 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.5 ptm -108.3 159.38 16.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -99.42 117.63 34.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.0 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.924 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 107' ' ' ARG . 6.0 ptm180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.86 0.362 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.514 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 6.4 m-85 -120.14 142.38 48.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -109.86 131.91 54.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 32.7 t -107.62 111.07 23.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.518 ' HB3' ' CE1' ' A' ' 113' ' ' PHE . 93.5 m-70 -91.8 134.27 34.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.825 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.403 HG21 HD12 ' A' ' 44' ' ' LEU . 7.8 t -111.59 134.92 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.518 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 41.3 m-85 -137.11 133.93 35.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.566 ' CE3' HG22 ' A' ' 96' ' ' THR . 52.7 t-105 -85.94 120.42 27.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.464 ' HA ' HG12 ' A' ' 20' ' ' VAL . 66.2 m -101.9 155.21 18.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.51 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.1 mm-40 -140.99 131.68 13.42 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.672 0.749 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.4 Cg_endo -69.76 -45.94 0.39 Allowed 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.361 -0.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.34 178.08 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.51 46.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.27 -64.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -58.84 -50.55 73.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.2 t -54.29 -55.64 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.3 p -60.45 -40.13 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -61.59 -41.47 97.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.0 -54.08 39.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 127' ' ' GLN . 6.3 p -60.54 -47.32 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.497 ' N ' HG13 ' A' ' 126' ' ' VAL . 22.9 tt0 -51.38 -59.84 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.09 -41.51 75.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.508 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -38.85 -38.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.624 ' SG ' HG13 ' A' ' 82' ' ' VAL . 69.0 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . 0.404 ' CE1' HE22 ' A' ' 127' ' ' GLN . 10.9 t60 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.849 0.357 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.34 -38.09 79.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 89.3 p -64.37 -58.42 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -38.82 -40.25 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.9 mtp -67.96 -49.95 58.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.25 -16.83 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -83.0 -73.32 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -105.3 -48.05 3.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 90.8 176.12 44.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.541 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -104.13 122.61 45.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -100.64 94.46 6.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 6.8 t-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.631 0.729 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG23 ' HB2' ' A' ' 61' ' ' ALA . 7.8 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.754 0.312 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -109.04 135.34 50.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.78 146.07 41.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -132.85 142.94 49.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.418 ' C ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -78.84 122.25 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.418 HG13 ' C ' ' A' ' 19' ' ' ARG . 5.7 m -157.25 178.52 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -119.66 162.67 18.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -114.62 115.36 27.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.4 mp -85.61 -32.11 22.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.63 -168.59 25.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -122.33 137.47 54.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.758 0.313 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.772 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -138.28 116.66 9.48 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.579 0.704 . . . . 0.0 110.934 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 150.28 67.83 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.632 2.221 . . . . 0.0 112.296 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.4 m -123.37 159.06 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -91.38 -37.92 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -110.88 144.06 29.55 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.738 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.516 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.74 -30.6 22.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.2 m -122.01 -177.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.9 106.24 2.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.425 ' CE ' ' HA3' ' A' ' 89' ' ' GLY . 4.6 mmt -57.16 -29.1 63.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.308 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.14 -23.66 64.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.1 m -88.3 -49.65 6.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.153 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.424 HD23 ' C ' ' A' ' 37' ' ' LEU . 10.5 tt -58.63 -52.23 66.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -58.88 -26.54 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 t -69.56 -27.47 65.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.772 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -80.16 -26.12 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.42 HG23 HG11 ' A' ' 112' ' ' VAL . 59.4 mt -66.63 -57.25 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.497 ' O ' HG22 ' A' ' 46' ' ' THR . 14.1 mt-10 -57.68 -54.12 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' GLU . 61.1 m-20 -36.35 -34.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.629 HD12 HG21 ' A' ' 112' ' ' VAL . 32.3 mt -87.14 -53.41 4.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.469 ' HG2' HD23 ' A' ' 23' ' ' LEU . 6.1 mtt -47.81 -45.26 29.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.7 t -63.98 -26.8 68.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.7 t -81.67 -63.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' MET . 4.6 m -97.83 157.6 15.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.54 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.5 m -97.2 173.2 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 23.6 tttm -62.32 -48.66 78.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.65 -21.79 61.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -73.59 -21.68 60.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 18.9 m0 -73.71 118.37 68.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.696 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 135.32 30.2 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.1 p -64.39 127.68 32.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.6 m -138.46 150.09 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.85 119.62 36.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.3 tpp -82.9 114.03 20.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -100.6 123.84 45.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.664 HG13 HG22 ' A' ' 65' ' ' VAL . 49.1 t -122.59 98.99 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.514 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -95.69 -178.39 4.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -49.99 110.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 48.16 39.98 12.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 61' ' ' ALA . 33.6 m -157.99 139.47 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.664 HG22 HG13 ' A' ' 60' ' ' VAL . 99.0 t -131.15 102.25 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -103.27 141.16 36.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.435 HG12 HD12 ' A' ' 77' ' ' LEU . 45.6 t -103.1 110.49 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.684 HG23 ' O ' ' A' ' 73' ' ' GLU . 83.6 mt -106.15 142.54 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 75' ' ' GLU . 13.2 t -73.91 157.11 36.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -80.06 -38.87 30.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -69.42 -40.41 77.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.424 ' HB3' ' CB ' ' A' ' 75' ' ' GLU . 50.8 t-20 -124.44 145.09 49.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.684 ' O ' HG23 ' A' ' 68' ' ' ILE . 32.4 mt-10 -83.08 -68.47 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.67 -24.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.424 ' CB ' ' HB3' ' A' ' 72' ' ' ASN . 61.1 tt0 -57.59 97.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 76' ' ' VAL . 1.8 p -95.52 86.82 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.435 HD12 HG12 ' A' ' 67' ' ' VAL . 39.0 mt -50.07 -54.08 22.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 79' ' ' GLU . 78.2 t -140.12 157.17 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.482 ' N ' HG12 ' A' ' 78' ' ' VAL . 41.6 tt0 -133.65 99.77 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.463 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 43.0 t -109.99 148.04 32.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' VAL . 16.2 mtp85 -125.01 121.41 34.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' ARG . 96.6 t -36.14 -57.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -47.89 -46.1 31.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -65.62 -35.29 80.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 87' ' ' PHE . 2.5 tt -45.74 129.7 9.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.7 p -98.71 -40.01 8.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.443 ' N ' HD23 ' A' ' 85' ' ' LEU . 53.6 t80 -160.22 134.02 7.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.43 ' HB3' HD21 ' A' ' 85' ' ' LEU . 9.9 ptp -126.96 138.82 53.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.425 ' HA3' ' CE ' ' A' ' 34' ' ' MET . . . -150.32 -173.5 20.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 96' ' ' THR . 46.1 t -127.9 128.41 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 111.155 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.96 175.78 0.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -53.55 -17.53 2.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -110.25 131.3 55.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.761 ' HB ' HD22 ' A' ' 164' ' ' LEU . 12.6 m -64.07 -14.59 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -83.31 -5.94 59.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.586 ' O ' HG13 ' A' ' 90' ' ' VAL . 76.7 p -109.75 148.82 30.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -153.79 112.99 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -120.56 161.36 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.463 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 8.7 p90 -149.0 140.92 23.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mt -102.33 114.66 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.0 ptm -105.74 160.57 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.51 116.01 28.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.7 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.868 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 5.4 m-85 -124.73 142.55 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -108.5 152.85 24.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 15.2 t -128.74 120.9 27.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 96.6 m-70 -102.62 135.84 43.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.629 HG21 HD12 ' A' ' 44' ' ' LEU . 6.2 t -111.73 137.05 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 21.8 m-85 -140.15 128.74 22.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 38.4 t-105 -84.5 114.22 21.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.61 ' SG ' HG21 ' A' ' 122' ' ' VAL . 97.5 m -86.66 165.49 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.478 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 22.1 mt-10 -150.79 126.72 5.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.634 0.731 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.4 Cg_endo -69.79 -48.88 0.25 Allowed 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.38 -0.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.53 -176.91 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -100.12 43.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.497 ' HB2' HD11 ' A' ' 164' ' ' LEU . . . -79.43 -61.88 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -62.71 -44.22 96.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.61 HG21 ' SG ' ' A' ' 115' ' ' CYS . 83.6 t -57.8 -48.4 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.0 t -75.79 -12.08 60.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.48 -38.42 20.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.8 -41.67 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 127' ' ' GLN . 12.4 p -71.11 -41.82 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.461 ' N ' HG13 ' A' ' 126' ' ' VAL . 3.1 tp-100 -58.3 -57.57 12.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.3 -32.42 73.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -51.75 -43.11 62.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 93.6 m . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 14.8 t60 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.805 0.336 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.761 HD22 ' HB ' ' A' ' 94' ' ' VAL . 4.2 mp -40.75 -43.86 2.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 2.3 m -48.38 -42.51 31.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -65.83 -38.44 88.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 41.1 mmm -62.68 -35.6 80.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -87.24 -16.28 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -76.94 -72.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -110.15 -30.61 7.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 86.88 -169.44 40.5 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -131.96 123.9 28.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.883 0.373 . . . . 0.0 110.901 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -106.8 105.51 15.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 28.7 t30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.655 0.741 . . . . 0.0 110.864 -179.881 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.521 HG23 ' CA ' ' A' ' 61' ' ' ALA . 12.9 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.806 0.336 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -102.86 134.12 46.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.432 ' H ' ' CD ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -103.9 142.1 34.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -122.31 155.48 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -92.57 111.21 22.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 115' ' ' CYS . 21.8 m -147.63 178.12 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -119.11 155.43 31.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -105.51 116.85 32.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.49 HD23 ' HG2' ' A' ' 45' ' ' MET . 6.0 mp -85.07 -36.13 21.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.54 -169.38 25.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.8 ttp -120.38 138.85 53.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.531 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -140.3 118.04 8.24 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.597 0.713 . . . . 0.0 110.936 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.471 ' N ' HD13 ' A' ' 26' ' ' LEU . 54.5 Cg_endo -69.71 148.74 66.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.262 . . . . 0.0 112.383 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.5 m -121.16 -177.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.64 -43.71 3.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -99.03 141.55 23.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -17.07 37.83 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.429 HG12 ' HB2' ' A' ' 87' ' ' PHE . 16.4 m -143.51 176.3 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.98 106.93 3.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.82 -34.04 51.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -63.61 -32.41 73.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.8 m -79.66 -45.56 18.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.6 tt -61.04 -47.65 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -61.16 -34.6 75.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.411 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 5.0 t -63.26 -17.23 62.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -91.73 -24.49 19.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.63 HG23 HG11 ' A' ' 112' ' ' VAL . 19.8 mt -71.32 -57.56 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -56.54 -46.13 80.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 39' ' ' SER . 62.5 m-20 -41.04 -45.4 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 47' ' ' SER . 10.8 mt -80.28 -57.57 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.49 ' HG2' HD23 ' A' ' 23' ' ' LEU . 4.8 mtt -39.87 -31.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.5 p -77.09 -43.01 35.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' LEU . 72.8 m -61.98 -57.56 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.1 m -106.54 158.24 17.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.449 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 12.8 m -96.11 177.4 5.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.569 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 18.9 tptp -62.71 -39.84 95.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.21 -26.21 55.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -69.94 -20.2 63.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.569 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 14.1 m0 -78.84 114.64 45.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.515 0.674 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 149.15 66.02 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.232 . . . . 0.0 112.31 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -78.94 127.95 32.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.1 m -135.57 155.66 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -98.01 116.01 29.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.2 tpp -84.17 114.9 22.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -98.8 115.89 29.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.459 HG11 ' CB ' ' A' ' 125' ' ' ALA . 92.1 t -113.15 100.48 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.521 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -80.13 -175.14 4.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -50.64 -61.87 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.86 32.24 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.463 HG22 ' N ' ' A' ' 65' ' ' VAL . 64.7 m -149.17 156.14 41.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.463 ' N ' HG22 ' A' ' 64' ' ' THR . 86.0 t -136.79 114.78 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 m -114.54 147.89 38.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.511 HG12 HD12 ' A' ' 77' ' ' LEU . 91.8 t -109.12 109.93 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.0 mt -106.36 136.71 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.5 t -63.65 144.44 57.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.419 ' C ' ' CD ' ' A' ' 70' ' ' GLU . 5.7 tm-20 -60.18 -39.13 85.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -72.13 -73.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -75.14 168.63 19.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 13.9 pt-20 -113.32 -37.61 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 9.1 pm0 -88.95 7.89 32.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -87.08 89.19 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 76' ' ' VAL . 1.7 p -79.84 95.5 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.511 HD12 HG12 ' A' ' 67' ' ' VAL . 45.1 mt -62.44 -40.5 96.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 79' ' ' GLU . 35.0 t -153.33 152.51 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.4 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.0 tt0 -132.08 104.5 6.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.6 t -114.23 135.23 54.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.514 ' HB2' ' CD2' ' A' ' 84' ' ' PHE . 6.2 mpt_? -115.63 138.28 51.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 130' ' ' CYS . 99.8 t -44.17 -37.33 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 14.8 ptt180 -65.01 -35.3 80.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 81' ' ' ARG . 16.6 m-85 -84.26 -16.64 42.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 88' ' ' MET . 3.3 tt -67.67 101.9 1.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.3 t -70.21 -59.08 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.429 ' HB2' HG12 ' A' ' 32' ' ' VAL . 8.6 t80 -154.31 132.21 11.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.544 ' HB3' HD21 ' A' ' 85' ' ' LEU . 6.1 ptp -111.2 167.14 10.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.37 -175.56 46.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 64.5 t -131.53 144.32 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.5 -171.51 5.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -14.37 19.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.36 154.61 29.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.648 ' HB ' HD22 ' A' ' 164' ' ' LEU . 9.4 m -87.6 -6.48 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 32.6 m80 -87.69 7.34 30.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.463 HG22 ' CE3' ' A' ' 114' ' ' TRP . 43.0 p -123.9 162.47 23.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -155.6 114.2 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.845 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -126.05 133.49 51.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.07 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -129.01 144.03 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.4 mt -99.01 127.44 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 28.2 ptm -126.5 167.26 15.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -115.61 112.82 22.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 -179.869 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.823 0.344 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -98.27 147.96 24.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -106.91 125.78 51.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.8 t -106.89 109.39 21.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -96.16 138.27 34.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.63 HG11 HG23 ' A' ' 41' ' ' ILE . 2.6 t -115.24 144.04 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -140.93 131.26 25.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.493 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 33.7 t-105 -89.17 121.57 31.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 122' ' ' VAL . 66.3 m -96.38 175.09 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 49.2 mt-10 -159.17 126.49 2.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.524 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 53.4 Cg_endo -69.73 -50.3 0.19 OUTLIER 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.345 -0.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.36 177.59 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.67 31.58 2.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.12 -72.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -46.72 -43.27 17.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.632 HG21 ' SG ' ' A' ' 115' ' ' CYS . 95.5 t -60.76 -65.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.0 m -59.74 -19.83 52.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.97 -36.13 62.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.459 ' CB ' HG11 ' A' ' 60' ' ' VAL . . . -67.7 -49.69 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 3.2 p -62.81 -41.42 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.407 ' OE1' ' CD2' ' A' ' 172' ' ' TYR . 2.9 tp-100 -50.81 -50.77 55.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.39 -28.59 59.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.28 -45.13 23.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.576 ' HA ' HG11 ' A' ' 82' ' ' VAL . 78.7 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 164' ' ' LEU . 27.4 t60 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.771 0.32 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.648 HD22 ' HB ' ' A' ' 94' ' ' VAL . 10.3 mt -36.06 -44.16 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 3.9 m -70.09 -50.32 42.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -48.06 -26.6 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.419 ' SD ' ' CE1' ' A' ' 163' ' ' HIS . 77.8 mmm -74.8 -51.17 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -79.89 -7.96 59.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -82.28 -63.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -125.8 -26.53 3.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 83.74 -172.98 50.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . 0.407 ' CD2' ' OE1' ' A' ' 127' ' ' GLN . 7.2 t80 -121.37 91.23 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.386 . . . . 0.0 110.939 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.59 115.37 8.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 85' ' ' LEU . 35.7 t30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.567 0.699 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.604 HG23 ' HA ' ' A' ' 61' ' ' ALA . 14.7 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.773 0.321 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.704 HE22 ' HB1' ' A' ' 125' ' ' ALA . 1.7 pt20 -97.15 134.93 39.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -113.33 139.26 49.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 16' ' ' GLN . 83.3 m-85 -121.38 156.01 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -97.05 108.22 20.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.83 HG12 ' HA ' ' A' ' 115' ' ' CYS . 34.7 m -144.22 172.71 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -108.02 158.11 17.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -109.84 106.25 15.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.655 HD13 HG12 ' A' ' 112' ' ' VAL . 4.9 mp -73.0 -37.05 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.12 -174.38 23.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.7 ttp -108.2 140.18 41.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.624 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -147.01 117.67 4.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.624 ' N ' HD13 ' A' ' 26' ' ' LEU . 54.1 Cg_endo -69.72 146.74 61.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -110.3 156.61 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -80.6 -34.93 34.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -129.06 150.75 76.22 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.624 0.726 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.537 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.77 -15.38 37.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 87' ' ' PHE . 16.8 m -142.91 153.74 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.68 95.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -43.14 -41.39 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -56.17 -42.21 76.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.5 m -72.72 -43.33 63.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.408 ' C ' HD23 ' A' ' 37' ' ' LEU . 10.3 tt -55.48 -43.96 76.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -70.5 -41.77 72.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.0 t -54.1 -18.26 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.96 -39.29 13.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.1 mt -52.59 -54.55 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -57.07 -50.78 71.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -39.99 -34.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.9 mt -90.74 -54.55 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.4 mtt -43.65 -44.86 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.4 p -70.18 -47.1 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.142 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.9 t -44.65 -68.42 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -105.84 176.51 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 p -93.34 165.31 12.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -66.45 -17.82 65.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -93.88 -21.36 19.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.427 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -69.0 -32.4 71.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.474 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 4.5 m0 -61.8 113.55 8.71 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.544 0.687 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 53' ' ' TRP . 53.2 Cg_endo -69.82 131.18 20.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.622 2.215 . . . . 0.0 112.299 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 p -64.78 128.47 35.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 m -138.93 164.52 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -99.35 123.72 43.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.5 ttm -89.5 106.22 18.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 66' ' ' THR . 2.8 m-80 -86.67 119.16 26.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.552 HG13 HG22 ' A' ' 65' ' ' VAL . 59.3 t -122.01 99.02 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.604 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -81.36 -175.77 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.636 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 8.6 t70 -49.92 -59.89 3.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.91 39.53 3.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 61' ' ' ALA . 83.5 m -156.55 151.52 26.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.552 HG22 HG13 ' A' ' 60' ' ' VAL . 84.0 t -134.8 100.3 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' ASN . 9.1 m -100.56 148.86 24.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.183 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 t -112.69 108.27 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 94.4 mt -106.61 146.14 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -79.11 160.81 26.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -75.48 -38.35 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -54.64 -58.46 7.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -118.57 174.49 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -104.0 -40.38 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -63.86 -33.42 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -50.1 112.79 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 76' ' ' VAL . 2.4 p -114.07 80.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 mt -48.29 -63.19 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.51 HG11 ' CD2' ' A' ' 111' ' ' HIS . 61.9 t -127.01 138.48 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -122.61 94.96 4.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.411 ' SG ' ' CB ' ' A' ' 101' ' ' MET . 29.6 t -106.13 147.58 28.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' PHE . 45.7 mtt180 -123.09 126.92 47.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' ARG . 87.7 t -33.88 -47.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -54.06 -46.77 72.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 81' ' ' ARG . 11.7 m-85 -71.66 -20.17 61.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.3 tt -57.6 113.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.1 t -81.6 -61.11 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.517 ' HB2' HG12 ' A' ' 32' ' ' VAL . 83.3 t80 -150.46 130.41 13.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.652 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.2 ptp -119.03 151.45 38.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.56 173.88 43.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.568 HG11 ' HA ' ' A' ' 94' ' ' VAL . 72.1 t -112.23 143.89 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.86 -165.34 13.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -50.16 -46.49 54.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.753 0.311 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -93.32 134.71 35.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.7 ' HB ' HD22 ' A' ' 164' ' ' LEU . 14.2 m -66.05 -12.71 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 2.6 m80 -75.22 -23.77 57.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 77.2 p -85.92 156.47 20.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -149.41 113.74 5.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.538 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -125.87 142.58 51.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -138.91 141.37 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.9 mt -101.14 115.48 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.411 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER -107.42 158.3 17.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -93.63 104.65 16.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.7 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.854 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 6.7 m-85 -128.05 149.6 50.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -115.44 139.34 50.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 48.6 t -114.79 115.87 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.51 ' CD2' HG11 ' A' ' 78' ' ' VAL . 95.4 m-70 -100.16 127.1 46.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.655 HG12 HD13 ' A' ' 23' ' ' LEU . 46.1 t -106.79 144.84 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 51.1 m-85 -145.91 136.75 24.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -87.4 112.93 22.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.83 ' HA ' HG12 ' A' ' 20' ' ' VAL . 52.4 m -86.06 166.25 16.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 30.7 mt-10 -153.51 129.47 5.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.661 0.743 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.541 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 54.1 Cg_endo -69.76 -49.23 0.24 Allowed 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.354 0.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.98 179.42 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.17 45.57 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.58 -49.91 6.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -72.93 -36.22 67.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 94.3 t -69.41 -56.69 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.2 m -60.63 -33.61 73.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.13 -46.77 73.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.704 ' HB1' HE22 ' A' ' 16' ' ' GLN . . . -59.87 -52.25 66.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.4 p -63.12 -46.7 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.501 ' N ' HG13 ' A' ' 126' ' ' VAL . 51.4 tt0 -55.22 -56.81 15.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 129' ' ' ALA . . . -61.74 -45.21 94.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -34.8 -43.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 72.7 m . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.936 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 18.7 t60 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.7 HD22 ' HB ' ' A' ' 94' ' ' VAL . 26.9 mt -48.04 -53.8 15.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 36.3 m -51.46 -48.48 62.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -54.64 -44.49 73.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 54.2 mmm -56.35 -35.18 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -83.21 -26.89 30.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -68.54 -72.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -109.73 -44.64 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 98.65 -149.06 19.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -138.77 124.46 19.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.903 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -108.18 118.7 37.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 85' ' ' LEU . 17.8 t30 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.635 HG23 ' HA ' ' A' ' 61' ' ' ALA . 14.2 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.808 0.337 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.568 ' HG2' ' CZ ' ' A' ' 18' ' ' PHE . 1.4 tt0 -102.88 137.89 40.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -119.06 131.64 55.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 16' ' ' GLN . 16.4 m-85 -108.41 161.21 15.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -96.24 110.06 22.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 115' ' ' CYS . 22.5 m -145.81 173.52 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -107.34 166.36 10.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -117.22 116.28 26.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.902 HD13 HG12 ' A' ' 112' ' ' VAL . 5.5 mp -81.97 -43.05 18.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.67 -167.54 29.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.509 ' O ' HD21 ' A' ' 44' ' ' LEU . 16.0 ttp -116.8 141.19 48.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.532 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -145.33 117.12 5.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.915 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 138.33 37.55 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.3 m -109.09 147.44 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -78.32 -38.06 43.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -113.74 144.46 31.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.588 0.708 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -24.68 29.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.467 HG12 ' HB2' ' A' ' 87' ' ' PHE . 24.0 m -133.9 172.93 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.72 100.17 2.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.442 ' HA ' ' CE ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -45.72 -40.37 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.755 0.312 . . . . 0.0 110.851 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -54.66 -35.26 63.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.9 m -78.64 -45.17 22.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 98' ' ' ALA . 8.4 tt -56.94 -50.05 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.455 ' HA ' HD12 ' A' ' 41' ' ' ILE . 75.1 m-20 -58.65 -42.58 88.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 t -56.0 -15.61 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -92.68 -38.07 12.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 38' ' ' ASN . 51.8 mt -59.67 -61.83 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -51.33 -45.84 62.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.419 HD22 HD11 ' A' ' 26' ' ' LEU . 77.1 m-20 -43.98 -42.61 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.509 HD21 ' O ' ' A' ' 25' ' ' MET . 13.8 mt -82.17 -49.2 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 mtt -47.07 -31.83 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.3 p -79.0 -47.06 16.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.7 t -53.2 -55.63 22.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.7 m -111.52 164.54 12.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.1 m -96.75 166.25 11.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 30.7 tttm -56.5 -44.09 80.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.954 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.76 -24.66 60.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.31 -27.26 67.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.475 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 8.5 m0 -70.12 113.73 20.02 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.544 0.687 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 135.66 31.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.4 m -71.19 125.95 28.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.3 m -135.71 172.23 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -103.83 123.69 47.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.6 tpp -94.1 107.7 19.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -94.38 127.65 40.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.635 HG13 HG22 ' A' ' 65' ' ' VAL . 84.0 t -127.99 98.43 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.635 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -75.93 -178.47 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.627 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 18.5 t0 -43.7 -59.93 2.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.15 33.33 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ALA . 27.7 m -145.71 150.39 36.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 60' ' ' VAL . 86.4 t -134.73 99.95 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -101.82 141.99 33.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.452 HG12 ' HB2' ' A' ' 77' ' ' LEU . 74.2 t -108.91 103.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.158 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.9 mt -101.94 150.38 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.7 t -76.21 169.76 17.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -86.31 -43.66 12.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -60.97 -52.98 62.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -105.7 168.16 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -114.48 -35.13 5.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -77.45 -12.25 59.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -69.64 118.0 11.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.1 t -104.45 79.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.452 ' HB2' HG12 ' A' ' 67' ' ' VAL . 68.3 mt -45.84 -64.62 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.412 HG11 ' CD2' ' A' ' 111' ' ' HIS . 85.8 t -136.26 126.79 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -104.31 101.6 11.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.7 t -113.08 144.96 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -119.66 136.3 54.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.488 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 20.3 t -62.03 -20.29 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -75.21 -21.75 58.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 85' ' ' LEU . 30.6 m-85 -97.39 -39.92 8.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.4 tt -37.27 114.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.9 p -82.76 -45.67 14.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.467 ' HB2' HG12 ' A' ' 32' ' ' VAL . 64.1 t80 -156.25 149.08 23.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.411 ' HB3' HD21 ' A' ' 85' ' ' LEU . 14.8 ptp -134.73 158.32 44.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.22 -176.35 39.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.537 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.707 HG11 ' HA ' ' A' ' 94' ' ' VAL . 59.4 t -128.07 141.04 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 111.163 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.415 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . -68.14 -180.0 18.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.12 -31.43 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -104.46 118.21 36.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.707 ' HA ' HG11 ' A' ' 90' ' ' VAL . 2.4 m -51.68 -29.29 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -55.74 -33.57 64.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.411 ' O ' HG13 ' A' ' 90' ' ' VAL . 29.8 p -81.76 162.35 22.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -158.41 113.17 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.653 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -126.57 148.1 49.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.142 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -137.6 148.53 45.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.3 mt -103.7 124.59 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 16.7 ptm -121.04 164.19 17.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 102' ' ' ASP . 0.4 OUTLIER -109.27 111.35 22.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.897 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.882 0.373 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -125.47 144.45 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -108.65 138.44 44.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.3 t -121.22 116.81 25.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.412 ' CD2' HG11 ' A' ' 78' ' ' VAL . 94.3 m-70 -94.8 148.5 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.902 HG12 HD13 ' A' ' 23' ' ' LEU . 41.7 t -124.66 135.89 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -139.38 136.03 34.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -85.51 112.86 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.581 ' HA ' HG12 ' A' ' 20' ' ' VAL . 83.9 m -84.15 159.67 21.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.5 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 52.9 mt-10 -145.81 128.63 8.12 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.601 0.715 . . . . 0.0 110.852 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 54.1 Cg_endo -69.75 -45.66 0.41 Allowed 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.325 -0.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -127.92 -179.23 4.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.99 51.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.074 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.01 -61.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -69.93 -57.67 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.9 t -42.23 -57.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.449 ' HA ' HG12 ' A' ' 126' ' ' VAL . 70.4 m -65.21 -25.0 67.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -76.3 -31.39 58.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.83 -43.98 28.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.54 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.0 p -65.02 -50.11 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.54 ' N ' HG13 ' A' ' 126' ' ' VAL . 8.3 pt20 -61.79 -39.57 92.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.78 -38.93 76.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.627 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -50.33 -38.77 43.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.421 ' SG ' ' CG1' ' A' ' 82' ' ' VAL . 84.1 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . 0.482 ' CE1' ' OE1' ' A' ' 127' ' ' GLN . 3.0 t60 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.83 0.348 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 89.7 mt -42.5 -43.54 3.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 168' ' ' GLN . 11.4 m -62.14 -64.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 165' ' ' SER . 29.4 mtpt -38.3 -39.04 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 15.8 mmm -65.7 -41.52 92.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 165' ' ' SER . 44.6 mt-30 -78.6 -21.97 47.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -76.38 -75.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . 0.461 HD22 ' N ' ' A' ' 171' ' ' GLY . 0.2 OUTLIER -104.96 -32.0 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . 0.461 ' N ' HD22 ' A' ' 170' ' ' ASN . . . 90.76 -149.96 20.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -144.18 120.16 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.929 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -100.16 115.63 30.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 50.4 t30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.628 0.728 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 61' ' ' ALA . 11.0 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -119.87 124.48 46.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -97.34 149.79 21.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -133.28 139.37 46.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -79.91 110.59 15.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -143.31 -176.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -117.35 165.07 13.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -113.59 117.3 31.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -83.55 -43.18 15.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.701 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 149.09 -178.55 26.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.1 ttp -116.74 125.24 51.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.547 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -128.83 117.42 19.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.547 ' N ' HD13 ' A' ' 26' ' ' LEU . 54.0 Cg_endo -69.83 140.14 41.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 m -110.3 -176.79 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.6 -42.16 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 -103.94 143.02 25.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.59 0.71 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -23.64 30.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.318 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.38 169.48 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.21 104.79 2.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.5 mmt -51.56 -41.55 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.59 -29.5 11.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.9 m -88.61 -45.53 9.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.602 HD21 ' HB3' ' A' ' 98' ' ' ALA . 8.7 tt -57.29 -52.24 66.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.509 ' HA ' HD12 ' A' ' 41' ' ' ILE . 2.8 m-80 -59.0 -45.16 91.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.474 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 32.1 t -52.18 -20.06 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -87.55 -34.07 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 38' ' ' ASN . 51.6 mt -62.28 -56.49 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 46' ' ' THR . 13.1 mt-10 -52.25 -45.95 65.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 39' ' ' SER . 18.4 m-20 -44.26 -49.22 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.701 HD22 ' HA3' ' A' ' 24' ' ' GLY . 9.5 mt -76.05 -53.99 7.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.431 ' HE1' ' HZ3' ' A' ' 114' ' ' TRP . 3.1 mtt -41.89 -43.8 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 42' ' ' GLU . 68.8 p -73.06 -30.82 63.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' LEU . 2.8 t -68.54 -64.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.0 m -101.62 157.76 16.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.6 m -94.53 161.29 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.433 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 23.1 tttt -48.55 -45.44 37.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.9 -38.32 73.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -54.06 -35.71 62.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.433 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 11.3 m0 -62.19 113.39 8.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.499 0.666 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.54 40.48 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.734 2.289 . . . . 0.0 112.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.1 m -73.13 124.01 24.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.4 m -132.98 167.72 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -104.26 120.58 41.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.41 ' HE1' ' CD1' ' A' ' 113' ' ' PHE . 44.4 ttm -90.15 98.54 11.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -84.55 109.84 18.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.532 HG13 HG22 ' A' ' 65' ' ' VAL . 90.7 t -109.81 98.64 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.454 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -76.83 -176.99 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.86 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 12.5 t70 -49.89 -60.96 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.64 37.21 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.532 HG23 ' HG3' ' A' ' 81' ' ' ARG . 93.2 m -155.44 150.38 26.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.532 HG22 HG13 ' A' ' 60' ' ' VAL . 95.1 t -133.81 103.25 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 m -105.6 143.43 33.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.95 118.29 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.5 mt -112.54 147.54 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.7 t -81.59 118.83 23.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -38.71 -35.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -70.39 -65.55 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' HB3' ' CB ' ' A' ' 75' ' ' GLU . 49.2 t-20 -98.94 132.79 44.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -38.93 35.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -78.8 -0.48 30.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.439 ' CB ' ' HB3' ' A' ' 72' ' ' ASN . 19.2 tt0 -85.46 107.26 17.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.2 t -99.26 96.21 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 66.0 mt -62.84 -43.56 98.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.421 HG11 ' CE1' ' A' ' 111' ' ' HIS . 95.8 t -152.12 129.88 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.065 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -108.63 95.81 5.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 t -101.76 148.11 25.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.532 ' HG3' HG23 ' A' ' 64' ' ' THR . 0.4 OUTLIER -131.13 119.81 22.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.852 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.62 HG11 ' HA ' ' A' ' 130' ' ' CYS . 58.9 t -34.15 -59.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -39.42 -49.78 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 85' ' ' LEU . 14.8 m-85 -70.01 -39.94 75.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.751 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.2 tt -37.72 116.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.7 p -81.83 -58.93 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -151.01 130.54 12.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.751 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.6 ptp -120.35 148.73 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.66 -170.4 29.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 96' ' ' THR . 79.5 t -128.56 143.75 40.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -72.11 -171.39 16.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -50.44 -43.5 55.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.4 122.58 38.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.538 ' HA ' HG11 ' A' ' 90' ' ' VAL . 12.1 m -55.19 -26.76 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -58.31 -23.31 56.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.556 ' O ' HG13 ' A' ' 90' ' ' VAL . 62.4 p -95.2 158.86 15.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -155.72 114.25 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.602 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -126.44 148.25 49.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 5.7 p90 -139.18 142.89 37.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.6 mt -100.65 125.82 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.3 ptm -123.05 168.93 11.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -105.99 113.1 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.5 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.918 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.5 ptt85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.832 0.349 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -119.45 139.63 51.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -106.4 137.21 44.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.9 t -112.28 110.78 21.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.421 ' CE1' HG11 ' A' ' 78' ' ' VAL . 39.0 m-70 -93.92 134.04 36.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.2 t -113.29 142.07 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.41 ' CD1' ' HE1' ' A' ' 58' ' ' MET . 18.1 m-85 -144.03 130.48 19.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.431 ' HZ3' ' HE1' ' A' ' 45' ' ' MET . 44.7 t-105 -80.24 124.26 28.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.552 ' SG ' HG21 ' A' ' 122' ' ' VAL . 90.9 m -99.44 159.4 15.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.466 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 30.0 mt-10 -146.65 126.21 6.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.667 0.746 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.3 Cg_endo -69.71 -48.02 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.753 -1.769 . . . . 0.0 112.341 -0.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.406 HD22 ' HB2' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -121.94 179.14 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.505 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -98.96 46.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.406 ' HB2' HD22 ' A' ' 118' ' ' ASN . . . -80.5 -57.05 3.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -66.67 -36.04 81.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.552 HG21 ' SG ' ' A' ' 115' ' ' CYS . 89.4 t -66.6 -44.33 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.8 p -77.94 -21.96 50.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -79.42 -42.73 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.89 -48.32 71.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 127' ' ' GLN . 11.0 p -65.71 -46.24 89.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.526 ' N ' HG13 ' A' ' 126' ' ' VAL . 33.1 tt0 -59.74 -49.93 75.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.72 -41.84 87.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.86 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -43.73 -43.16 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.62 ' HA ' HG11 ' A' ' 82' ' ' VAL . 77.9 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.5 t60 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.863 0.363 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.505 HD21 ' C ' ' A' ' 119' ' ' ALA . 8.3 mt -51.19 -43.59 61.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 32.2 m -52.47 -46.43 66.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -56.94 -43.62 81.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 87.3 mmm -58.12 -50.65 72.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -71.32 -13.0 61.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -82.11 -72.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -107.13 -23.58 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 72.84 -169.16 52.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -125.51 124.46 41.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.912 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -105.33 116.49 32.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 25.2 t30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.877 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.549 HG23 ' N ' ' A' ' 61' ' ' ALA . 13.1 p . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.782 0.325 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -96.43 139.88 31.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 149.14 32.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -132.44 136.92 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 tpp85 -75.08 114.01 13.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 m -146.45 172.15 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -110.6 159.19 17.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -110.17 110.27 21.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.994 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 5.4 mp -77.65 -41.84 36.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.09 -178.16 28.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.7 ttp -109.32 139.74 43.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.644 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -142.2 117.38 6.79 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 0.0 110.87 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.439 ' HD2' HD13 ' A' ' 26' ' ' LEU . 54.0 Cg_endo -69.78 155.13 66.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.236 . . . . 0.0 112.397 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 m -135.72 153.04 32.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -104.61 -9.93 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -115.64 135.75 22.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -30.06 22.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.228 . . . . 0.0 112.339 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.4 m -138.99 -175.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.06 105.63 2.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 67.1 mmm -52.25 -29.39 22.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.01 -33.85 76.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.0 m -82.92 -41.66 18.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' C ' HD23 ' A' ' 37' ' ' LEU . 9.9 tt -62.32 -43.78 98.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -72.88 -41.04 65.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 t -53.15 -20.8 4.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -87.24 -33.79 19.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.072 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mt -55.52 -64.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 44' ' ' LEU . 3.3 mm-40 -48.57 -57.98 5.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' GLU . 33.3 m-20 -35.39 -34.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' GLU . 22.8 mt -85.82 -54.55 4.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.4 mtp -46.19 -46.33 17.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 42' ' ' GLU . 8.8 t -63.94 -24.72 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 t -77.11 -52.04 9.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.0 m -121.09 144.16 48.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 m -75.31 170.77 15.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 68.8 tttt -59.23 -45.37 91.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -74.43 -22.0 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.08 -20.53 62.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.544 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.4 m0 -78.83 120.85 82.37 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 160.82 48.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.298 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.4 p -93.66 127.62 39.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.68 HG11 ' CD1' ' A' ' 77' ' ' LEU . 25.4 m -135.61 161.4 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -100.68 116.95 33.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.9 ttm -88.32 98.47 11.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -86.16 119.5 26.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.506 HG13 HG22 ' A' ' 65' ' ' VAL . 88.9 t -117.23 99.76 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.549 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -76.12 -176.85 3.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -40.4 -66.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.64 29.46 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 61' ' ' ALA . 9.9 m -139.41 148.54 42.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.506 HG22 HG13 ' A' ' 60' ' ' VAL . 77.5 t -129.56 102.2 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.475 ' CG2' HG13 ' A' ' 76' ' ' VAL . 1.6 m -108.56 135.69 49.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.501 HG12 ' HB2' ' A' ' 77' ' ' LEU . 90.5 t -103.62 112.82 38.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.7 mt -109.14 137.24 42.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.5 t -58.19 144.27 41.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -64.1 -32.18 73.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -70.22 -72.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.46 163.81 16.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 1.2 pm0 -114.29 14.03 17.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -127.65 -0.39 6.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -90.71 94.8 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.475 HG13 ' CG2' ' A' ' 66' ' ' THR . 40.4 t -76.2 90.07 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.68 ' CD1' HG11 ' A' ' 56' ' ' VAL . 62.5 mt -53.29 -50.88 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.8 t -145.26 129.5 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' O ' ' HE1' ' A' ' 101' ' ' MET . 17.8 tt0 -105.53 95.87 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 8.8 t -111.61 145.36 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.481 ' HD3' ' CE1' ' A' ' 84' ' ' PHE . 13.9 ttt180 -116.4 121.47 42.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.5 t -42.01 -39.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -68.19 -38.16 81.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.481 ' CE1' ' HD3' ' A' ' 81' ' ' ARG . 3.3 m-85 -74.42 -18.01 60.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.543 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.8 tt -59.32 114.3 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.4 t -77.18 -47.19 20.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.682 ' HB2' HG12 ' A' ' 32' ' ' VAL . 87.9 t80 -164.11 141.87 7.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.543 ' HB3' HD21 ' A' ' 85' ' ' LEU . 6.4 ptp -130.11 160.8 32.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.4 -175.78 39.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 91' ' ' GLY . 23.2 t -128.59 139.62 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.383 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.462 ' O ' HG12 ' A' ' 90' ' ' VAL . . . -64.64 -179.53 6.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -45.99 -38.47 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.747 0.308 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.94 156.12 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.655 HG12 ' HB3' ' A' ' 164' ' ' LEU . 35.4 m -90.39 7.81 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -96.03 -14.77 22.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 78.5 p -104.2 148.66 26.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.464 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 21.2 t80 -145.91 115.2 7.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -123.37 148.77 45.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 99' ' ' PHE . 3.5 p90 -139.09 150.77 46.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.3 mt -110.42 123.81 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.431 ' HE1' ' O ' ' A' ' 79' ' ' GLU . 7.2 ptm -112.94 161.49 16.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -102.58 104.65 15.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.6 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -179.899 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 107' ' ' ARG . 2.6 ptp180 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.827 0.346 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -124.32 159.8 29.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -114.16 144.1 43.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.2 t -122.76 116.08 23.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -109.18 142.39 40.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.9 t -120.02 146.0 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -144.96 129.71 18.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -81.53 116.26 21.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.466 ' SG ' HG21 ' A' ' 122' ' ' VAL . 61.4 m -96.0 146.98 24.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.502 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.8 mm-40 -129.44 127.98 23.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.578 0.704 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.7 Cg_endo -69.74 -47.96 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.354 -0.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.35 176.36 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -93.89 40.22 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.685 ' HB2' HD21 ' A' ' 164' ' ' LEU . . . -79.86 -54.61 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -72.99 -18.82 61.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.466 HG21 ' SG ' ' A' ' 115' ' ' CYS . 39.7 t -81.87 -45.09 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.416 ' HA ' HG12 ' A' ' 126' ' ' VAL . 1.9 m -72.92 -32.18 65.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 5.7 pt-20 -65.24 -43.09 92.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 124' ' ' GLU . . . -63.45 -47.28 82.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 123' ' ' SER . 7.5 p -71.65 -37.4 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -59.03 -49.22 78.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.81 -37.62 76.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -45.41 -36.08 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.889 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.3 t60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.857 0.361 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -42.32 -54.75 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.963 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 169' ' ' GLN . 80.5 p -39.55 -58.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.04 -42.41 18.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 47.2 mmm -65.26 -47.01 78.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -82.41 -4.73 57.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 165' ' ' SER . 21.3 mt-30 -94.51 -68.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . 0.64 HD22 ' N ' ' A' ' 171' ' ' GLY . 0.4 OUTLIER -107.93 -29.78 8.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . 0.64 ' N ' HD22 ' A' ' 170' ' ' ASN . . . 84.62 -158.15 33.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.464 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . 0.44 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 32.9 t80 -139.62 126.94 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -105.78 120.02 40.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 19.4 t30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.66 0.743 . . . . 0.0 110.828 -179.904 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 61' ' ' ALA . 7.7 p . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.807 0.337 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -112.41 128.17 56.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -99.71 148.72 24.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -132.12 141.84 49.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' NH1' ' OE2' ' A' ' 116' ' ' GLU . 3.8 tmm_? -79.38 114.74 18.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.615 HG12 ' HA ' ' A' ' 115' ' ' CYS . 34.6 m -150.66 178.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -116.77 164.88 13.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -116.7 116.4 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.074 HD13 HG12 ' A' ' 112' ' ' VAL . 5.3 mp -80.89 -36.18 31.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.37 -172.43 24.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.449 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.471 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 15.0 ttp -115.48 138.72 50.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.799 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -141.13 121.6 8.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 110.954 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.557 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.9 Cg_endo -69.69 141.56 45.87 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.388 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.527 ' HB ' HG22 ' A' ' 36' ' ' THR . 34.4 m -115.95 158.93 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.71 -41.48 12.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.516 ' H ' HG21 ' A' ' 36' ' ' THR . 75.2 mtt180 -115.33 145.09 33.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -36.14 11.26 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.468 HG12 ' HB2' ' A' ' 87' ' ' PHE . 30.7 m -118.6 153.69 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.63 101.78 1.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.496 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 2.4 mmt -44.2 -40.19 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -54.23 -37.22 64.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.527 HG22 ' HB ' ' A' ' 28' ' ' VAL . 25.2 m -79.24 -43.99 22.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.951 HD21 ' HB3' ' A' ' 98' ' ' ALA . 10.3 tt -59.97 -58.32 9.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 34' ' ' MET . 63.6 m-80 -56.81 -47.66 79.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 t -39.36 -27.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.799 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -82.47 -41.52 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 38' ' ' ASN . 75.7 mt -46.36 -60.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -55.8 -51.66 66.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -41.71 -38.22 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mt -83.24 -54.35 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.7 mtt -46.79 -35.35 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 p -66.17 -53.28 39.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.8 t -63.56 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 p -95.88 142.8 27.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -96.58 164.9 12.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 34.1 tttm -41.79 -47.37 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -70.27 -33.09 71.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.24 -29.47 67.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 2.4 m0 -77.03 114.36 38.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.621 0.724 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 160.83 48.25 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.645 2.23 . . . . 0.0 112.324 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 m -91.42 122.79 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.662 HG11 HD11 ' A' ' 77' ' ' LEU . 31.4 m -136.64 165.53 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -101.35 125.06 47.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.419 ' HB2' ' HE2' ' A' ' 58' ' ' MET . 27.3 ttm -90.67 101.56 14.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.444 ' ND2' HD12 ' A' ' 68' ' ' ILE . 4.6 m-80 -85.66 106.14 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.509 HG13 HG22 ' A' ' 65' ' ' VAL . 94.8 t -106.94 100.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.507 ' HB3' ' HB ' ' A' ' 64' ' ' THR . . . -79.8 177.79 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.412 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 5.7 t70 -47.69 -58.27 4.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.09 40.89 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.507 ' HB ' ' HB3' ' A' ' 61' ' ' ALA . 88.3 m -158.1 149.14 20.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.509 HG22 HG13 ' A' ' 60' ' ' VAL . 98.3 t -134.43 98.92 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.9 m -105.81 151.15 24.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.606 HG12 HD12 ' A' ' 77' ' ' LEU . 86.0 t -114.24 116.32 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.444 HD12 ' ND2' ' A' ' 59' ' ' ASN . 79.4 mt -114.97 148.33 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -71.42 168.8 16.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -84.8 -40.12 17.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 72' ' ' ASN . 0.1 OUTLIER -71.16 -44.88 64.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.469 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 59.9 m-20 -106.35 165.65 11.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -112.53 -39.98 4.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -72.28 -34.56 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -48.74 105.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 76' ' ' VAL . 1.1 p -98.86 84.51 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.662 HD11 HG11 ' A' ' 56' ' ' VAL . 71.6 mt -47.52 -56.43 7.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 111' ' ' HIS . 78.7 t -141.63 132.53 26.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -113.56 96.4 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.0 t -107.8 145.0 34.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 82' ' ' VAL . 1.1 mpt_? -118.37 127.69 53.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.602 HG11 ' HA ' ' A' ' 130' ' ' CYS . 89.4 t -36.71 -48.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -49.8 -46.12 50.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 81' ' ' ARG . 11.4 m-85 -67.75 -34.41 76.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.4 tt -47.7 112.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.3 p -86.69 -38.94 16.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.468 ' HB2' HG12 ' A' ' 32' ' ' VAL . 66.0 t80 -166.74 136.44 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.606 ' HB3' HD21 ' A' ' 85' ' ' LEU . 8.2 ptp -125.68 150.26 47.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -163.82 -171.87 30.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.575 HG11 ' HA ' ' A' ' 94' ' ' VAL . 71.9 t -126.7 143.67 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.147 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -77.32 177.86 52.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -37.54 -47.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.73 0.3 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -91.82 122.35 34.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.815 ' HB ' HD22 ' A' ' 164' ' ' LEU . 16.1 m -55.05 -21.41 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 2.4 m80 -67.19 -24.83 65.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.571 ' O ' HG13 ' A' ' 90' ' ' VAL . 59.0 p -87.63 152.47 22.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -145.02 115.42 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.951 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -125.93 150.18 48.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -151.4 140.41 21.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.606 ' CD1' HD12 ' A' ' 37' ' ' LEU . 5.0 mp -96.37 130.81 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.6 ptm -118.87 148.39 42.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.03 109.69 21.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 80.0 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.865 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.851 0.358 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -105.23 145.17 31.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -107.32 149.08 28.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 41.9 t -121.79 110.88 16.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.493 ' CE1' HG21 ' A' ' 78' ' ' VAL . 84.0 m-70 -91.83 133.6 35.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 1.074 HG12 HD13 ' A' ' 23' ' ' LEU . 66.6 t -113.16 135.36 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 15.7 m-85 -136.44 133.95 37.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.418 ' CE3' HG22 ' A' ' 96' ' ' THR . 51.2 t-105 -87.33 122.83 31.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.615 ' HA ' HG12 ' A' ' 20' ' ' VAL . 81.8 m -98.61 161.99 13.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 44.0 mt-10 -146.21 129.11 8.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 110.879 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.581 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 53.9 Cg_endo -69.79 -49.08 0.24 Allowed 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.338 0.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.409 ' HB2' HD11 ' A' ' 164' ' ' LEU . 0.2 OUTLIER -117.16 -178.61 3.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.56 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -101.97 38.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.6 -57.1 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.26 -48.58 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.45 -64.45 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.1 m -50.41 -38.43 42.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.38 -43.12 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.6 -47.59 83.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.577 HG13 ' N ' ' A' ' 127' ' ' GLN . 11.8 p -67.78 -49.01 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.577 ' N ' HG13 ' A' ' 126' ' ' VAL . 35.3 tt0 -51.51 -48.47 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 129' ' ' ALA . . . -68.36 -42.14 79.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -38.03 -45.61 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.602 ' HA ' HG11 ' A' ' 82' ' ' VAL . 65.8 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 23.0 t60 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.801 0.334 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.815 HD22 ' HB ' ' A' ' 94' ' ' VAL . 8.4 mt -39.58 -55.78 1.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.418 ' O ' ' CG ' ' A' ' 168' ' ' GLN . 1.8 m -53.41 -51.32 62.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -49.02 -44.15 41.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.403 ' SD ' ' NE2' ' A' ' 127' ' ' GLN . 87.2 mmm -53.91 -53.86 46.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 165' ' ' SER . 3.4 pt20 -67.69 -23.97 65.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -70.15 -68.18 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -114.63 -27.59 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 70.74 -172.71 42.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -123.99 133.45 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.939 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -110.34 118.61 36.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 14.7 t30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.648 0.737 . . . . 0.0 110.925 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.805 HG22 ' HB2' ' A' ' 61' ' ' ALA . 85.0 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.802 0.334 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -106.02 113.25 26.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -83.6 124.67 31.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -115.96 134.01 55.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -78.34 106.6 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.4 m -140.31 173.42 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -114.18 152.95 30.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -101.13 106.86 18.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.863 HD13 HG12 ' A' ' 112' ' ' VAL . 5.9 mp -75.22 -55.31 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.627 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 160.53 -177.04 37.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.569 ' O ' HD21 ' A' ' 44' ' ' LEU . 26.9 ttp -107.67 149.42 28.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.557 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.5 OUTLIER -157.68 117.3 1.93 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 0.0 110.948 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 142.02 46.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.665 2.244 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.4 m -116.1 144.76 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -63.67 -45.17 91.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -121.61 151.7 57.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.553 ' HB3' ' CD2' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.8 -39.22 6.7 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.667 2.244 . . . . 0.0 112.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.2 m -103.18 -175.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.13 103.93 0.84 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.447 ' HA ' ' CE ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -53.24 -52.54 58.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.854 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -44.02 -35.42 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.6 m -78.12 -39.96 39.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.8 tt -64.1 -55.62 20.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -53.34 -34.84 59.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 t -58.26 -19.71 36.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.557 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -88.27 -35.18 17.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.07 -62.86 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -48.12 -51.09 26.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -39.9 -54.64 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.627 HD22 ' HA3' ' A' ' 24' ' ' GLY . 6.3 mt -68.78 -60.18 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.477 ' HE2' HD21 ' A' ' 23' ' ' LEU . 6.2 mtt -38.34 -40.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.7 p -73.66 -37.38 65.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' LEU . 67.0 m -66.85 -58.26 5.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.6 m -103.18 169.55 8.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.496 ' O ' ' NE1' ' A' ' 53' ' ' TRP . 13.4 p -98.59 159.02 15.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 19.1 tttt -62.63 -18.34 62.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -92.27 -31.86 15.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.86 -34.55 76.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.523 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 2.1 m0 -61.7 112.24 5.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.524 0.678 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 136.81 33.91 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.724 2.282 . . . . 0.0 112.322 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 m -72.98 111.04 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.1 m -115.89 168.71 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -98.99 124.48 43.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.402 ' HE1' ' CD2' ' A' ' 113' ' ' PHE . 55.8 ttm -92.69 101.59 14.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.545 ' HB3' HG11 ' A' ' 15' ' ' VAL . 19.6 m-80 -76.24 100.52 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.2 t -102.47 98.18 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.805 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -93.92 173.08 7.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.557 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 31.0 t0 -39.51 -70.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.436 ' O ' HG22 ' A' ' 82' ' ' VAL . . . -120.5 42.92 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -158.28 149.82 21.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.143 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.3 t -140.23 106.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.0 m -110.95 145.67 37.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.756 HG12 HD12 ' A' ' 77' ' ' LEU . 53.0 t -110.68 105.42 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 69' ' ' SER . 83.0 mt -104.27 153.26 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 68' ' ' ILE . 8.3 t -76.27 160.88 29.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -72.79 -37.17 67.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -85.59 -57.67 2.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -81.14 141.93 33.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -100.73 -37.22 8.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -82.22 -12.62 57.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -67.91 97.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 76' ' ' VAL . 94.6 t -86.63 76.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.756 HD12 HG12 ' A' ' 67' ' ' VAL . 33.5 mt -42.73 -72.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.7 t -127.82 129.39 69.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -104.46 97.79 7.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.724 ' HA ' ' HE3' ' A' ' 101' ' ' MET . 38.9 t -105.55 148.14 27.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 82' ' ' VAL . 58.4 mtt180 -140.95 124.51 16.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.495 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 2.3 m -34.12 -45.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.2 mtm-85 -45.94 -48.96 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 81' ' ' ARG . 33.3 m-85 -75.44 -32.03 60.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.9 tt -47.48 100.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.9 p -78.12 -47.0 19.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -158.19 141.0 14.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.609 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.4 ptp -129.24 153.24 47.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.42 -170.41 26.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.9 t -134.34 146.23 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 92' ' ' LYS . . . -85.87 164.09 37.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 91' ' ' GLY . 7.0 mtpm? -34.89 -43.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -81.82 108.75 15.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.9 m -55.76 -16.43 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 9.1 m80 -84.68 27.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.545 HG22 ' CE3' ' A' ' 114' ' ' TRP . 31.1 p -136.33 164.24 28.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -156.42 116.1 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.663 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -129.61 136.0 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -132.38 145.15 51.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.447 HG21 ' HA ' ' A' ' 31' ' ' PRO . 68.6 mt -100.93 119.35 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.724 ' HE3' ' HA ' ' A' ' 80' ' ' CYS . 24.0 ptm -118.45 155.76 30.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -94.12 104.11 16.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.463 HG23 ' HG3' ' A' ' 101' ' ' MET . 70.4 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 31' ' ' PRO . 7.2 m-85 -101.31 143.18 31.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -105.3 157.21 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.4 t -124.38 111.6 15.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -92.52 130.87 38.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.863 HG12 HD13 ' A' ' 23' ' ' LEU . 40.8 t -109.15 139.38 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.402 ' CD2' ' HE1' ' A' ' 58' ' ' MET . 90.9 m-85 -143.6 119.99 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.545 ' CE3' HG22 ' A' ' 96' ' ' THR . 34.8 t-105 -74.56 125.05 27.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.402 ' C ' ' HG2' ' A' ' 116' ' ' GLU . 79.9 m -100.96 161.67 13.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.484 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.3 mm-40 -146.29 127.67 7.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.739 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.9 Cg_endo -69.75 -50.77 0.17 OUTLIER 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.366 -0.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.59 -176.4 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -103.11 42.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.15 -48.8 19.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 124' ' ' GLU . 4.8 m120 -76.21 -61.09 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 121' ' ' ASN . 99.0 t -36.86 -51.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.3 m -65.78 -39.41 90.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 121' ' ' ASN . 26.2 tt0 -60.03 -42.02 93.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.59 -54.27 42.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 127' ' ' GLN . 6.7 p -62.13 -42.69 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.457 ' NE2' ' CG ' ' A' ' 172' ' ' TYR . 0.7 OUTLIER -48.49 -54.84 12.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.59 -38.63 77.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -45.92 -39.62 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 75.5 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 10.1 t60 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.863 0.363 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.03 -46.98 72.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.479 ' HA ' ' CG ' ' A' ' 168' ' ' GLN . 13.4 t -55.09 -56.49 19.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -42.09 -33.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 9.8 mtp -73.09 -53.14 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.479 ' CG ' ' HA ' ' A' ' 165' ' ' SER . 2.7 pt20 -70.4 -12.69 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -85.37 -72.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.55 -41.86 5.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 100.64 -168.33 20.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . 0.457 ' CG ' ' NE2' ' A' ' 127' ' ' GLN . 62.8 t80 -139.45 120.37 14.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.959 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -98.9 117.9 34.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 46.1 t-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 121.55 0.69 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 61' ' ' ALA . 11.0 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.833 0.349 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -96.66 149.66 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 146.66 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -134.61 147.92 50.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -87.71 110.9 20.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' ' 115' ' ' CYS . 33.4 m -142.92 -179.26 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -119.53 159.05 25.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -105.92 107.17 18.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.541 HD23 ' HG2' ' A' ' 45' ' ' MET . 5.4 mp -76.06 -35.98 59.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.614 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 142.11 -171.19 24.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -120.28 139.44 52.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.779 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -144.96 118.27 5.5 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 110.908 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.445 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.6 Cg_endo -69.81 146.08 58.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.09 159.67 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -90.57 -33.78 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -117.33 145.23 35.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.727 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.454 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.76 -31.69 20.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.482 HG12 ' HB2' ' A' ' 87' ' ' PHE . 18.3 m -130.54 151.56 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.82 94.42 0.34 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.578 ' CE ' HD22 ' A' ' 37' ' ' LEU . 1.4 mmt -44.16 -38.06 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -57.36 -40.11 77.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.412 ' O ' ' CB ' ' A' ' 39' ' ' SER . 60.0 m -74.14 -46.83 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.578 HD22 ' CE ' ' A' ' 34' ' ' MET . 4.8 tp -43.56 -63.79 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.51 ' HA ' HD12 ' A' ' 41' ' ' ILE . 12.1 m-80 -57.88 -21.65 44.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 36' ' ' THR . 1.9 t -65.41 -29.26 69.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.779 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -87.86 -32.01 19.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 38' ' ' ASN . 89.4 mt -59.23 -61.42 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASN . 10.5 mt-10 -49.3 -55.65 12.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' GLU . 40.9 m-20 -35.3 -51.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.614 HD22 ' HA3' ' A' ' 24' ' ' GLY . 6.4 mt -71.93 -59.3 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.571 ' HE1' HG21 ' A' ' 96' ' ' THR . 15.5 mtt -38.66 -38.09 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.6 p -74.46 -46.24 41.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 m -60.49 -54.39 46.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -108.22 146.99 32.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.573 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 28.0 m -88.28 167.3 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.812 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HA ' ' CD2' ' A' ' 53' ' ' TRP . 44.6 tttm -53.41 -44.41 68.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -71.21 -32.97 69.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.28 -34.38 72.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.573 ' CD1' ' O ' ' A' ' 49' ' ' SER . 4.7 m0 -64.42 112.65 8.2 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.55 0.69 . . . . 0.0 110.934 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 131.8 22.04 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.637 2.225 . . . . 0.0 112.401 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.1 m -68.1 124.79 24.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 m -136.34 168.19 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.55 126.77 51.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.0 ttm -94.2 108.88 20.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.715 ' ND2' HD12 ' A' ' 68' ' ' ILE . 4.6 m-80 -92.99 114.16 26.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.574 HG13 HG22 ' A' ' 65' ' ' VAL . 89.8 t -114.37 98.82 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -75.32 179.78 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -43.81 -60.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.58 37.15 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.731 HG23 ' HG3' ' A' ' 81' ' ' ARG . 5.4 m -150.29 151.07 32.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.574 HG22 HG13 ' A' ' 60' ' ' VAL . 74.9 t -132.7 96.75 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.8 m -100.67 144.88 29.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.554 HG12 HD12 ' A' ' 77' ' ' LEU . 54.9 t -108.92 119.09 57.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.715 HD12 ' ND2' ' A' ' 59' ' ' ASN . 46.6 mt -119.47 147.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.489 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 2.2 t -73.05 173.26 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.15 -38.87 21.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -68.4 -75.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.681 ' ND2' ' H ' ' A' ' 72' ' ' ASN . 0.1 OUTLIER -88.62 136.93 32.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -88.95 -16.11 32.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -87.21 -12.54 46.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.51 ' OE2' HD23 ' A' ' 77' ' ' LEU . 27.8 tp10 -72.48 116.1 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.8 t -105.59 83.57 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.554 HD12 HG12 ' A' ' 67' ' ' VAL . 47.5 mt -50.97 -53.51 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 94.4 t -143.04 135.6 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -116.35 96.79 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.9 t -108.89 147.08 32.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.731 ' HG3' HG23 ' A' ' 64' ' ' THR . 2.1 mpt_? -118.34 123.89 46.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.818 HG21 ' HB1' ' A' ' 129' ' ' ALA . 74.6 t -34.82 -49.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -52.1 -46.46 65.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' ARG . 4.7 m-85 -66.48 -29.95 70.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.738 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.5 tt -51.04 115.16 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -85.61 -50.2 7.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 2.7 t80 -148.75 142.28 25.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.738 ' HB3' HD21 ' A' ' 85' ' ' LEU . 8.2 ptp -138.36 145.31 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.54 -162.97 17.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 96' ' ' THR . 92.6 t -131.91 144.92 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.338 . . . . 0.0 111.166 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.81 -169.55 23.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -45.46 -47.88 13.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -94.32 139.7 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.589 ' HA ' HG11 ' A' ' 90' ' ' VAL . 9.2 m -70.81 -11.57 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 7.3 m80 -77.34 -11.81 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.602 ' O ' HG13 ' A' ' 90' ' ' VAL . 73.3 p -100.52 150.73 22.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -143.68 118.61 9.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -133.87 141.3 47.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 99' ' ' PHE . 12.8 p90 -136.16 144.21 44.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.8 mt -105.13 117.75 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.3 ptm -109.09 165.04 11.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -107.74 108.62 19.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -179.91 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.455 ' O ' ' CG ' ' A' ' 107' ' ' ARG . 8.9 ptm180 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.886 0.374 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 4.1 m-85 -120.77 146.15 46.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -111.81 136.42 51.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 32.3 t -112.79 109.23 18.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -95.5 140.7 29.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.5 t -119.42 148.06 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -151.25 128.98 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.422 ' CE3' HG22 ' A' ' 96' ' ' THR . 49.9 t-105 -80.08 119.3 22.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.689 ' HA ' HG12 ' A' ' 20' ' ' VAL . 13.6 m -92.53 165.73 12.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 21.9 mt-10 -151.62 128.65 5.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.646 0.736 . . . . 0.0 110.933 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.562 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 54.4 Cg_endo -69.72 -47.93 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.376 0.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.73 179.76 4.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.453 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -100.77 46.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.25 -62.25 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -58.86 -51.98 67.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 69.4 t -50.88 -52.19 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.0 m -65.36 -33.01 74.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -68.48 -38.93 81.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.18 73.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.5 p -70.63 -41.95 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.433 ' N ' HG13 ' A' ' 126' ' ' VAL . 8.3 tt0 -54.33 -50.87 66.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.71 -41.16 88.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.818 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -40.28 -36.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 74.6 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.929 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 14.0 t60 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.453 HD21 ' C ' ' A' ' 119' ' ' ALA . 30.8 mt -42.28 -53.58 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 87.3 p -54.32 -46.13 72.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -56.69 -32.6 65.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 85.8 mmm -70.97 -54.7 10.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -68.48 -18.93 64.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -79.02 -70.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -109.91 -31.53 7.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 84.69 -166.99 41.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -127.1 129.57 48.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.913 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' ASN . 20.9 mp0 -105.86 106.5 17.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 85' ' ' LEU . 26.8 t30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.632 0.729 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.423 HG23 ' CA ' ' A' ' 61' ' ' ALA . 9.6 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.819 0.342 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -98.64 140.3 33.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.13 144.42 45.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -133.53 148.16 51.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -88.83 110.2 20.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 m -141.81 -175.56 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -121.73 160.41 24.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -112.47 117.5 32.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD21 ' HE2' ' A' ' 45' ' ' MET . 6.2 mp -82.92 -44.14 15.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.17 177.77 21.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.443 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.1 ttp -102.63 140.36 37.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.606 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -148.16 118.24 4.25 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.614 0.721 . . . . 0.0 110.945 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.61 45.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.4 m -109.92 154.95 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.84 -44.13 28.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' H ' HG21 ' A' ' 36' ' ' THR . 2.0 mpt_? -116.57 147.06 38.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.75 -12.23 32.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.376 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 87' ' ' PHE . 21.8 m -141.97 166.51 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.63 103.24 2.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.1 mmt -49.72 -41.33 43.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -54.56 -26.56 32.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.406 HG21 ' H ' ' A' ' 30' ' ' ARG . 88.6 m -91.04 -45.8 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.907 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.4 tt -57.24 -45.45 83.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.95 -48.16 72.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.4 t -44.42 -28.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -83.86 -37.85 21.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.7 mt -52.49 -57.06 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' ASN . 10.7 mt-10 -53.23 -52.37 59.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLU . 74.6 m-20 -37.32 -41.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.4 mt -79.04 -54.94 5.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.515 ' HE2' ' CH2' ' A' ' 53' ' ' TRP . 2.8 mtt -44.99 -41.49 7.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.2 p -60.97 -41.36 96.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.5 m -62.73 -66.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.4 m -109.34 150.18 28.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 56.5 m -81.91 164.08 21.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.838 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.583 ' HA ' ' CH2' ' A' ' 53' ' ' TRP . 1.7 tmtp? -48.09 -59.46 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -68.49 -23.33 64.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.436 ' HB3' ' N ' ' A' ' 49' ' ' SER . 12.3 t0 -65.85 -24.28 66.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.583 ' CH2' ' HA ' ' A' ' 50' ' ' LYS . 5.2 m0 -71.57 132.43 85.5 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.582 0.705 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.68 28.52 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.3 m -72.57 123.85 24.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.1 m -128.24 -177.95 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -124.2 127.13 47.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.7 tpp -94.12 116.13 28.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.451 ' ND2' HD12 ' A' ' 68' ' ' ILE . 5.2 m-80 -104.49 123.78 48.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 65' ' ' VAL . 95.6 t -115.04 98.46 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.423 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -90.96 -178.08 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.071 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.4 102.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 52.93 37.79 25.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.061 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.419 HG23 ' HG3' ' A' ' 81' ' ' ARG . 24.0 m -151.46 148.6 28.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 60' ' ' VAL . 82.2 t -133.63 101.16 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.3 m -100.73 134.21 44.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.703 HG12 HD12 ' A' ' 77' ' ' LEU . 90.1 t -100.95 111.15 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.451 HD12 ' ND2' ' A' ' 59' ' ' ASN . 59.1 mt -106.79 153.51 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.416 ' N ' HG22 ' A' ' 68' ' ' ILE . 2.1 t -83.78 155.12 23.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -68.17 -43.98 76.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -55.45 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' A' ' 75' ' ' GLU . 3.0 p30 -103.47 161.0 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -100.37 -33.66 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' A' ' 73' ' ' GLU . 11.1 pt-20 -68.4 -31.67 71.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.446 ' HB2' ' ND2' ' A' ' 72' ' ' ASN . 15.2 tp10 -54.87 113.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.46 80.5 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.703 HD12 HG12 ' A' ' 67' ' ' VAL . 97.4 mt -42.65 -59.16 2.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.8 t -148.7 134.31 11.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -107.69 97.17 6.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.6 t -104.36 146.07 29.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.419 ' HG3' HG23 ' A' ' 64' ' ' THR . 35.9 mtt180 -131.14 121.83 25.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.496 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 22.0 t -36.32 -50.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.4 OUTLIER -37.01 -57.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 85' ' ' LEU . 38.1 m-85 -66.06 -41.53 90.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.6 tt -34.31 109.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.9 p -86.14 -37.36 18.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.481 ' HB2' HG12 ' A' ' 32' ' ' VAL . 72.8 t80 -163.87 147.4 9.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.509 ' HB3' HD21 ' A' ' 85' ' ' LEU . 6.3 ptp -139.66 148.77 42.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.67 -169.79 30.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.775 HG11 ' HA ' ' A' ' 94' ' ' VAL . 95.3 t -123.87 142.89 39.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 111.102 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.22 -151.73 0.7 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -62.81 -43.47 98.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.03 128.66 45.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.775 ' HA ' HG11 ' A' ' 90' ' ' VAL . 25.7 m -53.56 -27.43 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 2.1 m80 -60.22 -31.66 70.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.581 ' O ' HG13 ' A' ' 90' ' ' VAL . 65.1 p -78.15 154.87 30.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -152.07 114.87 4.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.907 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -126.83 146.5 50.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.086 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 111' ' ' HIS . 22.0 p90 -140.53 140.17 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.4 mt -97.59 121.19 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.9 ptm -121.89 158.33 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.38 118.41 29.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.3 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -179.887 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.6 mtp-105 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 7.8 m-85 -95.09 147.85 22.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -105.45 153.86 21.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.463 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 50.6 t -129.14 113.39 15.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 97.3 m-70 -93.33 127.01 38.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.552 HG22 ' HB2' ' A' ' 98' ' ' ALA . 19.5 t -108.98 139.3 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 23.0 m-85 -141.95 130.77 22.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -81.29 122.76 27.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 74.5 m -93.03 168.68 10.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.463 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 26.2 mt-10 -153.66 124.66 3.55 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.583 0.706 . . . . 0.0 110.878 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.597 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 54.1 Cg_endo -69.76 -50.82 0.17 OUTLIER 'Cis proline' 0 C--N 1.34 0.13 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.34 0.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.39 179.12 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.409 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -96.17 42.7 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.076 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -82.55 -55.81 4.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -60.22 -57.39 13.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 95.7 t -51.08 -56.03 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.428 ' HA ' HG12 ' A' ' 126' ' ' VAL . 73.7 m -59.73 -42.86 94.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.77 -33.86 68.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.76 -58.95 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.497 HG22 ' HE1' ' A' ' 88' ' ' MET . 6.3 p -54.44 -37.3 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -58.15 -47.08 84.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.02 83.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.061 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.481 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -44.17 -33.5 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.442 ' SG ' ' CE ' ' A' ' 88' ' ' MET . 55.8 m . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 10.3 t60 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.858 0.361 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.409 HD21 ' C ' ' A' ' 119' ' ' ALA . 18.5 mt -55.24 -50.34 69.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 168' ' ' GLN . 72.6 p -57.83 -48.61 79.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -48.19 -44.46 32.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 4.2 mtp -53.93 -55.19 29.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 165' ' ' SER . 2.8 pt20 -66.07 -27.89 68.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -68.54 -63.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -116.19 -36.18 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 86.49 -167.57 39.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . 0.476 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 64.4 t80 -131.15 134.11 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.948 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -112.62 118.08 34.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 10.6 t-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.521 HG23 ' N ' ' A' ' 61' ' ' ALA . 9.1 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.788 0.327 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -102.61 144.86 30.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.08 146.73 36.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -134.93 130.45 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -69.78 110.48 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.5 m -142.28 -177.9 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -130.18 146.64 51.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -96.53 124.51 40.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.595 HD21 ' HE2' ' A' ' 45' ' ' MET . 6.3 mp -90.49 -41.51 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.54 -178.99 28.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.489 ' CG ' ' OE2' ' A' ' 109' ' ' GLU . 9.1 tmm? -107.04 138.96 42.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.549 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.6 OUTLIER -143.68 115.68 5.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.921 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.549 ' N ' HD13 ' A' ' 26' ' ' LEU . 53.9 Cg_endo -69.74 144.12 53.11 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.415 HG13 ' HB2' ' A' ' 110' ' ' CYS . 33.2 m -118.15 159.59 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -90.31 -39.4 12.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -118.64 144.82 36.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HA ' HG21 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.73 -36.0 11.7 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.752 2.301 . . . . 0.0 112.303 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.497 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.9 m -117.38 149.66 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.28 103.98 1.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.448 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 mmt -52.1 -30.66 27.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.01 -26.25 68.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 m -93.81 -45.94 7.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.718 HD12 ' CD1' ' A' ' 100' ' ' ILE . 8.7 tt -56.06 -46.03 79.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -71.87 -42.93 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.4 t -54.65 -17.79 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.803 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.9 -39.18 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.469 ' HA ' HG21 ' A' ' 112' ' ' VAL . 79.2 mt -53.52 -60.13 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 44' ' ' LEU . 16.3 mm-40 -55.89 -54.18 47.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' GLU . 76.7 m-20 -34.75 -34.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' GLU . 39.8 mt -89.98 -44.86 9.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.595 ' HE2' HD21 ' A' ' 23' ' ' LEU . 3.0 mtt -54.44 -47.64 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 42' ' ' GLU . 5.2 t -54.24 -36.8 63.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.0 p -81.12 -63.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -95.15 139.36 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.578 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 5.9 m -93.65 176.88 6.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.5 tttt -52.72 -46.39 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.73 -37.47 79.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -57.31 -28.58 63.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 49' ' ' SER . 3.1 m0 -77.59 112.66 25.72 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 53' ' ' TRP . 54.4 Cg_endo -69.73 141.29 44.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.1 m -69.31 126.38 29.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.496 HG11 ' CD1' ' A' ' 77' ' ' LEU . 34.9 m -136.3 169.04 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.59 117.67 32.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.444 ' HG2' HG23 ' A' ' 60' ' ' VAL . 43.5 ttm -86.1 107.58 17.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -92.99 103.48 15.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.733 HG13 HG22 ' A' ' 65' ' ' VAL . 96.7 t -102.09 98.84 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.101 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.521 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -71.01 -177.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.414 ' CG ' ' N ' ' A' ' 63' ' ' ALA . 8.6 p-10 -53.2 -53.01 56.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.414 ' N ' ' CG ' ' A' ' 62' ' ' ASP . . . -130.76 39.77 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.56 HG23 ' HG3' ' A' ' 81' ' ' ARG . 5.6 m -160.01 147.81 16.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.733 HG22 HG13 ' A' ' 60' ' ' VAL . 88.7 t -127.49 100.33 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -107.1 146.47 31.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.9 t -111.41 113.66 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.56 HG21 ' HA ' ' A' ' 73' ' ' GLU . 72.9 mt -107.13 143.03 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 t -85.25 133.95 34.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -53.5 -33.44 54.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -54.19 -43.35 70.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.451 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 3.1 m-80 -153.67 147.88 25.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.56 ' HA ' HG21 ' A' ' 68' ' ' ILE . 28.2 tt0 -74.24 -28.77 61.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -83.35 3.28 32.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -97.54 83.16 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 76' ' ' VAL . 11.2 p -86.1 110.55 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.496 ' CD1' HG11 ' A' ' 56' ' ' VAL . 12.9 mt -73.52 -47.23 42.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.575 HG21 ' CE1' ' A' ' 111' ' ' HIS . 90.5 t -142.51 139.55 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -121.73 99.68 6.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.6 t -109.79 147.63 32.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.56 ' HG3' HG23 ' A' ' 64' ' ' THR . 24.5 ttt180 -127.3 136.37 51.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.444 HG11 ' HA ' ' A' ' 130' ' ' CYS . 69.6 t -37.85 -51.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -54.81 -40.54 69.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ARG . 12.7 m-85 -72.54 -24.15 61.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.462 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 2.3 tt -69.6 107.39 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 71.5 p -77.32 -49.01 15.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.497 ' HB2' HG12 ' A' ' 32' ' ' VAL . 80.5 t80 -158.16 133.88 9.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.54 ' HE3' HG22 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -111.94 170.28 8.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.52 175.54 44.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 96' ' ' THR . 55.3 t -126.52 151.88 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 111.117 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.413 ' O ' HG12 ' A' ' 90' ' ' VAL . . . -80.55 -172.59 45.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -50.25 -44.21 53.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -90.13 126.29 35.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.1 m -59.87 -14.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 21.6 m80 -70.8 -33.88 71.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.478 ' O ' HG13 ' A' ' 90' ' ' VAL . 41.7 p -80.17 155.63 27.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.42 ' CD2' HG11 ' A' ' 122' ' ' VAL . 34.2 t80 -155.05 116.37 4.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.403 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -129.27 158.39 39.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -151.67 142.93 23.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.718 ' CD1' HD12 ' A' ' 37' ' ' LEU . 5.1 mp -97.08 120.79 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.8 ptm -115.8 170.4 8.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -112.62 108.3 17.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.209 -179.91 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.834 0.349 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -120.79 135.32 55.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.595 ' OE2' ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -109.94 138.31 46.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.415 ' HB2' HG13 ' A' ' 28' ' ' VAL . 19.8 t -108.6 128.92 55.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.595 ' CE1' ' OE2' ' A' ' 109' ' ' GLU . 83.1 m-70 -108.8 143.34 38.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.544 HG12 HD13 ' A' ' 23' ' ' LEU . 41.4 t -124.26 128.41 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 53.2 m-85 -135.46 132.55 37.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -85.77 137.69 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.554 ' SG ' HG21 ' A' ' 122' ' ' VAL . 83.7 m -122.99 147.79 46.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.514 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.6 pp20? -138.42 132.16 16.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.659 0.743 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.8 Cg_endo -69.75 -47.41 0.31 Allowed 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.344 0.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.65 ' ND2' ' HB2' ' A' ' 120' ' ' ALA . 5.2 p-10 -124.55 -178.28 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.458 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -105.96 50.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.65 ' HB2' ' ND2' ' A' ' 118' ' ' ASN . . . -73.86 -58.01 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -64.09 -37.8 88.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.554 HG21 ' SG ' ' A' ' 115' ' ' CYS . 58.0 t -61.92 -64.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.6 m -55.46 -43.14 75.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -60.31 -39.95 88.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.59 -54.73 17.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.54 HG22 ' HE3' ' A' ' 88' ' ' MET . 7.6 p -60.11 -39.66 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -63.93 -55.16 24.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.05 98.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -42.83 -29.95 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.444 ' HA ' HG11 ' A' ' 82' ' ' VAL . 74.8 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 166' ' ' LYS . 2.1 t60 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.832 0.348 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.525 HD11 HD22 ' A' ' 118' ' ' ASN . 8.8 mt -40.14 -47.32 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 66.4 p -57.1 -38.43 73.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 163' ' ' HIS . 0.8 OUTLIER -53.6 -51.32 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 73.8 mmm -49.37 -59.15 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.84 -28.84 69.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -62.22 -68.83 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -122.43 -32.94 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 89.78 173.17 45.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -108.81 123.25 48.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.83 111.78 23.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 85' ' ' LEU . 38.1 t30 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.619 0.723 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.458 -0.056 0 CA-C-O 120.758 0.313 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -115.12 126.37 54.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -102.44 138.72 38.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -129.05 142.94 50.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.91 115.79 12.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 115' ' ' CYS . 14.9 m -140.9 -175.24 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -129.83 159.86 35.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -104.31 114.91 29.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.509 HD13 HG12 ' A' ' 112' ' ' VAL . 5.1 mp -92.67 -34.39 13.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 140.26 -176.82 21.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.1 ttp -122.71 136.34 54.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.707 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -129.7 116.96 18.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.942 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.407 ' HD2' HD13 ' A' ' 26' ' ' LEU . 54.2 Cg_endo -69.74 138.39 37.77 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.65 2.234 . . . . 0.0 112.367 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.0 m -137.43 171.17 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -113.63 -36.76 4.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -73.07 116.44 50.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -17.38 37.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 0.0 112.378 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.533 HG12 ' HB2' ' A' ' 87' ' ' PHE . 32.2 m -146.73 171.76 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.89 110.64 3.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.8 mmt -57.21 -29.75 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -61.7 -30.78 70.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.407 HG21 ' HB3' ' A' ' 30' ' ' ARG . 53.4 m -87.3 -51.09 6.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.673 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.8 tt -48.06 -50.68 27.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -63.27 -42.94 99.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -49.45 -23.35 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.707 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -89.35 -30.48 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.91 -63.0 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -50.39 -42.46 53.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -46.03 -43.56 14.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.501 HD22 ' HA3' ' A' ' 24' ' ' GLY . 8.8 mt -82.48 -56.47 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.444 ' HG2' ' CD2' ' A' ' 23' ' ' LEU . 15.9 mtp -38.64 -33.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 77.3 p -81.91 -41.2 21.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.116 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' LEU . 45.3 m -42.86 -60.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -120.49 -176.46 3.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.435 ' O ' ' NE1' ' A' ' 53' ' ' TRP . 23.5 m -95.65 172.39 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.578 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 17.6 tptp -66.9 -38.98 87.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -71.32 -30.44 66.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -63.97 -22.52 66.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.578 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 8.7 m0 -78.77 124.99 84.93 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.586 0.707 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 169.76 18.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.2 p -109.47 111.31 22.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 m -122.34 167.63 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -105.02 120.86 42.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.1 tpp -85.01 111.21 19.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.449 ' ND2' HD12 ' A' ' 68' ' ' ILE . 19.7 m-80 -92.68 108.97 20.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.4 HG11 ' CA ' ' A' ' 126' ' ' VAL . 52.8 t -107.0 99.32 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.22 175.66 7.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.925 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 74.5 m-20 -42.43 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 82' ' ' VAL . . . -116.41 41.71 2.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.806 HG23 ' HG3' ' A' ' 81' ' ' ARG . 5.3 m -162.23 136.43 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.1 t -124.77 102.45 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.8 m -102.42 150.7 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.7 t -112.73 107.52 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.495 HG21 ' HA ' ' A' ' 73' ' ' GLU . 53.7 mt -104.39 145.46 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.477 ' CB ' ' HG2' ' A' ' 75' ' ' GLU . 0.9 OUTLIER -81.55 160.66 23.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -83.95 28.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -120.2 -41.89 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -149.8 142.75 24.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.495 ' HA ' HG21 ' A' ' 68' ' ' ILE . 7.1 tp10 -66.84 -31.48 72.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.495 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 3.2 pm0 -83.51 0.93 44.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 69' ' ' SER . 5.0 tp10 -87.19 81.94 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 76' ' ' VAL . 13.2 p -89.3 121.48 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.88 -40.77 8.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 91.5 t -142.08 124.74 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -112.81 98.47 7.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.4 t -105.34 147.82 27.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.806 ' HG3' HG23 ' A' ' 64' ' ' THR . 1.3 mpt_? -128.67 136.08 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.434 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 6.9 m -49.11 -43.8 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -46.88 -26.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -98.05 -35.91 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.7 tt -45.14 114.27 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.2 p -89.67 -43.68 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.533 ' HB2' HG12 ' A' ' 32' ' ' VAL . 54.0 t80 -157.72 141.32 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.483 ' HB3' HD21 ' A' ' 85' ' ' LEU . 16.0 ptp -130.09 153.38 48.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.27 172.89 45.76 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.818 HG13 ' O ' ' A' ' 96' ' ' THR . 73.3 t -107.65 144.65 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 111.165 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.48 -161.42 3.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -57.33 -35.37 69.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -101.44 129.68 47.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.639 ' HA ' HG11 ' A' ' 90' ' ' VAL . 3.0 m -57.63 -32.75 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -58.74 -27.83 65.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.818 ' O ' HG13 ' A' ' 90' ' ' VAL . 64.0 p -87.14 156.28 19.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -157.13 113.88 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.673 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -121.64 148.03 45.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -136.58 141.2 43.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.1 mt -98.51 122.8 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.7 ptm -116.23 155.66 27.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.59 112.73 25.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.817 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.9 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 -179.909 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.891 0.377 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -115.55 140.33 49.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -108.18 131.0 55.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.5 t -109.72 113.97 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 113' ' ' PHE . 96.8 m-70 -94.72 152.34 18.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.509 HG12 HD13 ' A' ' 23' ' ' LEU . 29.9 t -127.3 137.02 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 46.5 m-85 -146.19 126.14 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -80.47 119.8 23.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.609 ' SG ' HG21 ' A' ' 122' ' ' VAL . 82.9 m -91.13 161.49 15.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.502 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 6.4 mm-40 -144.85 129.43 9.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.692 0.758 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.7 Cg_endo -69.77 -48.57 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.361 -0.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -125.44 -177.64 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.427 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -98.01 43.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.681 ' N ' HD21 ' A' ' 164' ' ' LEU . . . -82.33 -48.95 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -80.07 -39.21 30.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.609 HG21 ' SG ' ' A' ' 115' ' ' CYS . 71.1 t -56.1 -64.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.43 ' HA ' HG12 ' A' ' 126' ' ' VAL . 19.5 m -59.77 -37.03 77.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -62.23 -39.37 92.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.11 -60.63 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 122' ' ' VAL . 8.4 p -53.53 -38.54 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.82 -55.83 29.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.98 -44.33 89.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.925 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -40.33 -49.71 2.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 129' ' ' ALA . 95.8 m . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.681 HD21 ' N ' ' A' ' 120' ' ' ALA . 13.9 mt -48.2 -32.64 7.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 9.8 p -72.3 -52.03 18.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -46.44 -37.71 8.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 2.6 mmt -60.97 -45.6 94.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -77.27 -26.65 52.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -65.46 -74.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -111.61 -39.48 4.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 95.05 -148.5 19.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . 0.4 ' HB3' ' CG ' ' A' ' 88' ' ' MET . 48.9 t80 -143.13 118.56 10.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -100.48 110.88 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 37.9 t-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.53 HG23 ' HB2' ' A' ' 61' ' ' ALA . 9.2 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.737 0.303 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -96.61 144.72 26.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.12 149.9 36.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -134.93 140.11 45.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -82.78 104.41 13.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 115' ' ' CYS . 22.0 m -139.56 -176.75 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -119.21 164.99 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.433 ' CD1' ' CE2' ' A' ' 113' ' ' PHE . 10.4 t80 -115.58 108.35 16.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.525 HD23 ' HG2' ' A' ' 45' ' ' MET . 6.3 mp -74.74 -44.0 52.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.419 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 148.81 176.03 21.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' A' ' 26' ' ' LEU . 12.2 tmm? -102.67 145.04 30.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.522 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -144.35 117.96 5.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 110.911 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.8 48.84 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.713 2.275 . . . . 0.0 112.332 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.6 m -126.86 150.98 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -105.59 15.65 26.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -137.49 133.32 18.02 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.561 0.696 . . . . 0.0 110.895 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -32.91 17.52 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.715 HG12 ' HB2' ' A' ' 87' ' ' PHE . 32.7 m -140.35 173.92 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.46 107.63 2.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.0 mmm -55.15 -38.62 68.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -49.74 -38.62 34.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 98.0 m -79.32 -44.19 22.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.201 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.86 -48.24 70.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -64.88 -40.4 95.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -58.44 -23.11 56.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -86.78 -28.35 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.406 HD13 ' HA3' ' A' ' 91' ' ' GLY . 81.6 mt -67.73 -59.22 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -53.91 -46.8 71.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -40.5 -44.19 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.419 HD22 ' HA3' ' A' ' 24' ' ' GLY . 10.9 mt -80.28 -56.16 4.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.525 ' HG2' HD23 ' A' ' 23' ' ' LEU . 4.2 mtt -39.07 -36.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -72.75 -51.14 20.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 m -55.73 -58.51 7.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.5 m -106.85 152.61 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.444 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 25.2 m -93.86 176.05 6.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 20.5 tptp -59.69 -48.85 80.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -70.27 -21.33 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -71.44 -25.36 62.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.535 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 5.2 m0 -77.7 116.27 56.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.565 0.697 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 140.03 41.66 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.64 2.226 . . . . 0.0 112.358 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 m -72.87 127.76 33.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.431 HG11 ' CD1' ' A' ' 77' ' ' LEU . 17.4 m -135.4 169.05 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -106.42 118.36 36.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.1 ttm -87.61 103.83 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.755 ' ND2' HD12 ' A' ' 68' ' ' ILE . 3.1 m-80 -92.01 103.86 16.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.532 HG13 HG22 ' A' ' 65' ' ' VAL . 98.7 t -106.03 100.53 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.626 ' HB3' ' HB ' ' A' ' 64' ' ' THR . . . -78.52 171.7 14.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ALA . 8.3 m-20 -35.31 -65.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -124.35 39.54 3.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.064 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 61' ' ' ALA . 19.5 m -150.82 148.11 28.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.532 HG22 HG13 ' A' ' 60' ' ' VAL . 95.0 t -132.58 100.5 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.6 m -112.02 134.55 53.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.598 HG12 HD12 ' A' ' 77' ' ' LEU . 94.0 t -99.01 114.82 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.755 HD12 ' ND2' ' A' ' 59' ' ' ASN . 75.3 mt -104.66 149.85 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.7 t -87.93 157.73 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.99 -39.24 61.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -51.78 -59.32 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -124.14 147.54 47.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -82.6 -26.91 31.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -85.15 10.04 13.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -92.37 111.94 23.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 76' ' ' VAL . 22.9 t -95.84 90.62 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.598 HD12 HG12 ' A' ' 67' ' ' VAL . 62.7 mt -57.41 -50.0 74.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.2 t -148.14 136.44 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -112.94 96.23 5.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.409 ' SG ' ' CB ' ' A' ' 101' ' ' MET . 32.9 t -113.25 142.18 46.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 82' ' ' VAL . 40.1 mtt180 -123.37 130.07 52.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.465 HG11 ' HA ' ' A' ' 130' ' ' CYS . 92.8 t -34.48 -58.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.435 ' NH2' ' CZ ' ' A' ' 84' ' ' PHE . 9.2 ptt85 -40.42 -43.86 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.435 ' CZ ' ' NH2' ' A' ' 83' ' ' ARG . 12.3 m-85 -70.95 -39.93 72.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tt -41.19 121.4 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 p -96.37 -53.35 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.715 ' HB2' HG12 ' A' ' 32' ' ' VAL . 89.7 t80 -153.63 135.17 14.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.8 ptp -125.46 163.06 23.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.9 -165.93 32.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.671 HG11 ' HA ' ' A' ' 94' ' ' VAL . 79.0 t -130.8 140.44 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.933 0.397 . . . . 0.0 111.087 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.406 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . -69.83 -170.79 8.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.472 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -49.69 -37.89 30.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.13 129.0 49.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.671 ' HA ' HG11 ' A' ' 90' ' ' VAL . 3.0 m -56.65 -35.73 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -51.37 -27.23 9.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.2 p -85.53 159.79 19.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -158.18 116.35 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.663 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -129.0 151.59 49.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -141.33 141.42 33.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.2 mt -97.66 122.16 48.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.409 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER -119.44 158.97 25.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.35 110.22 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.853 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 43.2 mtt85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.87 0.366 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -108.63 139.64 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -111.75 133.87 53.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 17.4 t -108.62 113.45 26.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -99.59 133.43 43.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.663 HG22 ' HB2' ' A' ' 98' ' ' ALA . 17.6 t -116.49 141.84 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.433 ' CE2' ' CD1' ' A' ' 22' ' ' TYR . 43.4 m-85 -143.99 140.59 29.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.524 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 45.9 t-105 -86.13 117.9 25.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.47 ' HA ' HG12 ' A' ' 20' ' ' VAL . 80.7 m -89.87 157.81 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.4 mm-40 -143.16 127.93 9.76 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.655 0.74 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.8 Cg_endo -69.74 -49.37 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.328 0.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.06 -176.45 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.416 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -101.11 46.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.08 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.65 -43.18 12.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -79.65 -52.59 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 94.8 t -51.42 -59.57 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.8 t -57.62 -42.14 82.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -62.88 -35.35 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.03 -49.57 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 127' ' ' GLN . 10.2 p -68.33 -39.6 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.403 ' N ' HG13 ' A' ' 126' ' ' VAL . 39.5 tt0 -57.48 -53.92 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.64 97.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.59 -41.95 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.465 ' HA ' HG11 ' A' ' 82' ' ' VAL . 79.6 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 10.1 t60 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.758 0.313 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.427 HD22 ' HB ' ' A' ' 94' ' ' VAL . 26.2 mt -39.18 -36.78 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 54.5 m -69.18 -48.35 62.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -40.29 -42.27 1.5 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 46.2 mmm -65.47 -50.89 63.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.418 ' OE1' HG12 ' A' ' 94' ' ' VAL . 37.6 mt-30 -66.47 -17.46 64.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -83.71 -73.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -104.56 -45.61 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 100.46 -148.67 18.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -145.49 130.66 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -115.12 112.13 22.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 13.1 t-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.587 0.708 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 61' ' ' ALA . 9.5 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.783 0.325 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -107.79 124.84 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -98.78 135.91 39.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -118.71 135.91 54.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -77.26 107.59 9.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.1 m -139.48 178.37 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -113.42 156.27 23.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -110.33 109.25 19.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.977 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.643 HD13 HG12 ' A' ' 112' ' ' VAL . 6.3 mp -76.62 -49.36 16.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.604 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 161.46 -171.53 37.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.8 ttp -119.17 128.85 54.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.82 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -139.21 117.5 8.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.928 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.495 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.7 Cg_endo -69.82 160.18 50.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 m -121.85 -177.62 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -116.96 -37.61 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -109.82 143.58 28.19 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.629 0.728 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -32.22 18.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.5 m -129.87 145.59 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.44 118.92 2.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.7 mmt -64.97 -40.38 94.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -51.93 -22.21 3.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -97.91 -43.18 7.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.499 HD21 ' HB3' ' A' ' 98' ' ' ALA . 10.3 tt -58.88 -45.91 89.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -66.19 -37.64 86.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -53.49 -24.27 12.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.82 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -86.43 -35.71 19.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.503 ' HA ' HG21 ' A' ' 112' ' ' VAL . 51.1 mt -59.99 -62.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.674 ' O ' HG22 ' A' ' 46' ' ' THR . 3.3 mm-40 -49.77 -51.39 39.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -39.66 -38.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.604 HD22 ' HA3' ' A' ' 24' ' ' GLY . 9.4 mt -86.71 -47.5 9.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.57 ' HE1' ' HZ3' ' A' ' 114' ' ' TRP . 3.8 mtp -48.52 -47.51 38.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 42' ' ' GLU . 5.7 t -73.69 -29.64 62.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -59.02 -54.85 42.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.1 m -119.6 176.85 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 t -91.83 163.45 14.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.529 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 29.0 tttt -64.65 -18.56 65.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -89.73 -32.87 16.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.1 -31.41 68.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.529 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 2.8 m0 -67.67 111.77 8.48 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.524 0.678 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.12 66.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 79.6 p -86.37 118.3 25.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.0 m -124.89 169.73 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 69' ' ' SER . 3.9 m-20 -98.34 126.38 43.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.481 ' HE2' ' CD1' ' A' ' 113' ' ' PHE . 54.3 ttm -97.32 98.2 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -82.38 107.96 15.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.573 HG13 HG22 ' A' ' 65' ' ' VAL . 84.5 t -107.41 98.43 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.47 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -75.38 -178.31 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -49.28 -59.01 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.81 40.14 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 61' ' ' ALA . 22.9 m -158.74 149.04 19.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.573 HG22 HG13 ' A' ' 60' ' ' VAL . 99.5 t -130.81 102.44 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.8 m -104.91 149.15 25.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.672 HG12 HD12 ' A' ' 77' ' ' LEU . 85.0 t -111.36 113.61 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.7 mt -114.1 150.32 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.492 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 7.9 t -56.37 173.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -76.1 -42.36 47.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 72' ' ' ASN . 12.6 ptmm? -99.16 -52.79 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.403 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 4.1 m120 -63.55 144.34 57.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -104.89 -33.88 8.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -89.08 -12.25 41.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -73.56 92.33 1.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 76' ' ' VAL . 9.4 p -91.8 118.55 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.672 HD12 HG12 ' A' ' 67' ' ' VAL . 16.2 mt -84.67 -46.85 11.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.9 t -144.02 139.15 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -120.2 94.31 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.6 t -104.75 144.49 31.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -122.0 130.93 53.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.452 HG21 ' HB1' ' A' ' 129' ' ' ALA . 77.4 t -42.73 -56.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -38.85 -52.88 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -65.82 -33.62 76.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.748 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.3 tt -41.69 120.21 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.4 t -94.04 -50.74 5.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -150.16 128.73 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.748 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.0 ptp -122.85 139.13 54.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.79 -165.5 23.24 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 96' ' ' THR . 55.1 t -129.01 145.29 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.177 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.52 -165.9 5.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.428 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -46.4 55.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.03 124.01 37.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.778 ' HA ' HG11 ' A' ' 90' ' ' VAL . 18.5 m -52.55 -22.4 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 6.4 m80 -64.82 -33.09 75.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.835 ' O ' HG13 ' A' ' 90' ' ' VAL . 65.8 p -80.19 150.27 30.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -145.14 115.89 7.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.499 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -130.96 142.25 50.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -135.21 146.33 48.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -96.24 117.98 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.598 ' HE2' HG22 ' A' ' 103' ' ' THR . 25.9 ptm -117.99 145.34 44.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.65 113.56 26.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.598 HG22 ' HE2' ' A' ' 101' ' ' MET . 51.7 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 23.7 mtt-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.874 0.368 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -88.32 151.29 22.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -105.56 133.31 50.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 28.9 t -113.45 110.62 20.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 93.0 m-70 -93.01 135.3 34.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.643 HG12 HD13 ' A' ' 23' ' ' LEU . 40.7 t -113.18 138.21 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.481 ' CD1' ' HE2' ' A' ' 58' ' ' MET . 31.4 m-85 -144.09 127.74 17.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.57 ' HZ3' ' HE1' ' A' ' 45' ' ' MET . 45.0 t-105 -77.49 130.55 37.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 79.0 m -105.58 144.93 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.486 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 11.7 mp0 -129.88 127.99 22.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.695 0.76 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.58 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 53.7 Cg_endo -69.79 -50.28 0.19 OUTLIER 'Cis proline' 0 C--N 1.342 0.234 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.343 -0.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.64 -176.36 2.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.477 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -104.94 36.47 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.81 ' HB2' HD11 ' A' ' 164' ' ' LEU . . . -75.91 -49.42 17.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -63.73 -52.84 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.8 t -53.41 -52.26 33.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -60.39 -41.87 94.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -63.21 -41.67 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.22 -51.13 69.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.524 HG22 ' SD ' ' A' ' 88' ' ' MET . 7.7 p -61.49 -42.07 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.412 ' N ' HG13 ' A' ' 126' ' ' VAL . 32.2 tt0 -55.74 -41.46 73.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.14 71.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.452 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -42.81 -45.24 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.41 ' HB3' ' CG1' ' A' ' 82' ' ' VAL . 7.6 p . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 166' ' ' LYS . 11.7 t60 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.81 HD11 ' HB2' ' A' ' 120' ' ' ALA . 8.0 mt -36.83 -53.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 5.3 m -55.18 -37.91 67.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 163' ' ' HIS . 5.8 mmtp -57.48 -32.58 67.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.408 ' O ' ' CA ' ' A' ' 171' ' ' GLY . 81.1 mmm -72.05 -57.87 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.599 ' OE1' HG12 ' A' ' 94' ' ' VAL . 7.9 pt20 -63.43 -28.58 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -69.4 -74.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -103.12 -32.03 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 167' ' ' MET . . . 74.58 -172.61 52.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -135.85 125.54 25.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . 0.458 ' O ' ' CD ' ' A' ' 173' ' ' GLU . 2.4 pp20? -110.84 109.17 19.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 173' ' ' GLU . 9.5 t-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.647 0.737 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -164.33 134.38 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.385 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 p -70.67 174.81 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.34 131.62 1.39 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 m -129.57 147.95 51.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.6 m -119.52 148.19 43.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.87 148.81 19.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -178.8 2.51 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.7 m -105.33 129.09 25.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.611 0.72 . . . . 0.0 111.122 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 130.97 20.27 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -107.74 108.27 19.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.9 p -106.32 114.22 28.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -144.85 152.25 40.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -49.73 95.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.544 HG23 ' CA ' ' A' ' 61' ' ' ALA . 14.4 p -127.44 144.13 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -102.26 140.05 37.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.76 139.92 44.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -123.66 131.08 53.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -74.72 113.1 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 23.3 m -149.81 171.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -103.42 168.49 9.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -118.14 107.29 13.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 5.8 mp -76.68 -47.42 22.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.04 -161.69 30.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.522 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 32.8 ttp -132.35 131.23 41.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.868 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -130.95 120.63 18.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.89 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.513 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.4 Cg_endo -69.77 144.52 54.27 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.294 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 m -120.69 155.45 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -88.72 -38.33 14.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 -110.69 144.27 29.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -27.63 26.15 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.705 2.27 . . . . 0.0 112.299 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 87' ' ' PHE . 32.9 m -128.02 166.08 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.13 106.32 2.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.8 mmt -58.14 -24.84 60.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -74.14 -22.6 59.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 98.8 m -90.61 -46.63 8.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.491 HD23 ' C ' ' A' ' 37' ' ' LEU . 8.0 tt -59.28 -50.0 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.14 -24.99 65.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.481 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 31.2 t -71.89 -18.42 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.868 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -93.15 -26.04 17.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.123 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.539 HG23 HG11 ' A' ' 112' ' ' VAL . 22.2 mt -65.0 -60.3 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.528 ' O ' HG23 ' A' ' 46' ' ' THR . 7.8 mm-40 -53.87 -41.09 67.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 39' ' ' SER . 93.0 m-20 -49.89 -46.32 51.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.4 mt -74.7 -42.05 59.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.405 ' HE2' HD21 ' A' ' 23' ' ' LEU . 3.5 mtt -55.54 -38.56 69.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 42' ' ' GLU . 74.2 p -63.94 -49.98 70.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 t -55.69 -68.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 p -101.48 146.63 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.419 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.1 m -87.46 -177.96 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.515 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 37.3 tttm -60.67 -48.27 82.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.34 -19.71 60.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -72.29 -25.53 61.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.515 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 5.6 m0 -78.33 120.43 81.07 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.51 0.672 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 149.16 66.26 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.691 2.261 . . . . 0.0 112.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.3 m -81.28 123.43 28.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.612 HG11 ' CD1' ' A' ' 77' ' ' LEU . 11.3 m -135.74 155.66 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -96.13 122.8 39.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 49.2 ttm -89.76 102.77 15.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.747 ' ND2' HD12 ' A' ' 68' ' ' ILE . 11.5 m-80 -88.9 113.08 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.796 HG13 HG22 ' A' ' 65' ' ' VAL . 60.5 t -111.94 103.28 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.544 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -80.96 179.82 7.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -40.71 -70.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -120.56 40.53 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.461 HG23 ' CG ' ' A' ' 81' ' ' ARG . 4.6 m -154.83 151.46 28.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.188 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.796 HG22 HG13 ' A' ' 60' ' ' VAL . 71.6 t -134.03 101.08 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.105 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.7 m -102.38 139.18 38.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' A' ' 77' ' ' LEU . 95.8 t -103.39 113.29 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.747 HD12 ' ND2' ' A' ' 59' ' ' ASN . 64.4 mt -112.04 143.64 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 t -79.94 169.54 17.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -86.5 -39.53 16.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 ptpt -58.37 -27.42 64.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -150.1 156.43 41.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -95.82 -33.99 12.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' A' ' 74' ' ' GLU . 1.4 pm0 -77.28 -6.04 51.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 76' ' ' VAL . 4.9 tp10 -78.84 110.98 14.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.498 ' N ' ' OE1' ' A' ' 75' ' ' GLU . 49.1 t -100.62 97.7 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.612 ' CD1' HG11 ' A' ' 56' ' ' VAL . 72.8 mt -66.0 -42.79 89.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 86.5 t -154.73 131.29 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -108.0 98.7 8.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 36.9 t -108.12 146.29 32.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.461 ' CG ' HG23 ' A' ' 64' ' ' THR . 18.9 mtp85 -123.67 131.53 53.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.1 t -49.81 -35.04 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -61.54 -38.48 87.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -79.25 -30.79 43.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.713 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.7 tt -47.54 112.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.2 p -88.35 -45.47 9.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.458 ' HB2' HG12 ' A' ' 32' ' ' VAL . 47.7 t80 -152.04 143.66 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.713 ' HB3' HD21 ' A' ' 85' ' ' LEU . 4.5 ptp -138.93 140.51 38.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.52 176.88 34.56 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 91' ' ' GLY . 25.0 t -114.86 141.13 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 111.109 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.445 ' O ' HG12 ' A' ' 90' ' ' VAL . . . -66.65 167.14 38.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' GLY . 29.3 tptt -37.49 -30.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 91' ' ' GLY . 3.6 m-20 -98.76 150.15 22.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.7 m -86.48 4.66 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.409 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 5.6 m80 -102.61 7.48 39.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.441 ' O ' HG13 ' A' ' 90' ' ' VAL . 33.8 p -125.84 148.06 49.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.496 ' CZ ' HG11 ' A' ' 126' ' ' VAL . 31.8 t80 -140.02 121.45 15.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.544 ' HB2' HG13 ' A' ' 112' ' ' VAL . . . -131.59 136.9 48.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.084 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 6.6 p90 -134.6 141.94 46.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.4 mt -100.68 119.94 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.2 ptm -112.43 162.67 15.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -92.95 118.8 31.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 77.0 p -112.11 35.67 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 159.44 -126.82 1.71 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -98.94 -64.31 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.416 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 4.9 tt0 -112.86 -36.69 5.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -63.88 118.05 7.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.416 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 5.0 m-85 -119.81 145.14 46.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -107.37 152.21 24.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.1 t -128.83 108.93 10.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 71.5 m-70 -95.12 147.95 22.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.544 HG13 ' HB2' ' A' ' 98' ' ' ALA . 2.3 t -123.01 147.0 27.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -145.22 130.01 18.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 45.9 t-105 -79.84 123.75 28.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 60.7 m -103.25 137.67 41.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 10.8 mm-40 -125.94 129.78 24.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.665 0.745 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.2 Cg_endo -69.79 -46.14 0.38 Allowed 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.331 0.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.66 -175.82 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.57 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -102.9 47.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.598 ' N ' HD21 ' A' ' 164' ' ' LEU . . . -83.53 -47.28 11.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -77.38 -32.16 54.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 50.5 t -71.84 -67.55 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.6 p -52.87 -19.02 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -80.44 -35.24 35.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.4 -49.71 21.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.4 p -59.22 -48.39 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.531 ' HA ' ' HE3' ' A' ' 88' ' ' MET . 6.5 pt20 -62.6 -42.73 99.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . -71.87 -24.68 61.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.14 -32.96 71.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.065 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 81.4 m -61.4 -41.83 97.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 t -76.98 -47.69 20.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 142.76 -97.88 0.21 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 141.32 45.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.721 2.281 . . . . 0.0 112.383 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.1 t -120.43 146.48 46.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 63.0 m -77.38 -53.13 8.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.25 -144.51 33.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 75.0 mt -46.03 119.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -76.29 -31.37 58.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.68 -51.87 3.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -59.91 111.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -114.47 -142.73 8.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 62.4 p -110.79 119.68 39.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 68.6 m -56.63 -61.4 2.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 118.28 -55.8 0.58 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.436 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.7 m -88.76 84.57 6.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 110.882 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.5 t -70.61 158.46 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.82 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -98.82 -74.67 1.16 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 6.4 t -90.31 101.26 13.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.3 m -123.58 121.14 34.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 146.24 48.15 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 89.2 p -166.17 158.91 14.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.816 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 39.8 m -87.15 139.13 30.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 154' ' ' ASP . . . 163.75 -125.04 1.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 153' ' ' GLY . 0.5 OUTLIER -36.03 117.95 0.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -79.18 164.31 24.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -101.71 27.14 6.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 58.5 t -76.81 126.8 37.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 11.5 t -73.71 141.22 78.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.526 0.679 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 3.28 2.85 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.673 2.249 . . . . 0.0 112.37 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 164' ' ' LEU . 32.2 mt-10 -79.61 -45.62 18.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.98 -40.46 62.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -47.89 -36.05 11.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -87.65 -55.99 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.598 HD21 ' N ' ' A' ' 120' ' ' ALA . 11.9 mt -43.25 -30.32 0.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 36.1 m -70.18 -51.94 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -46.94 -46.33 21.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 63.8 mmm -54.86 -46.31 74.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -80.26 6.37 12.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -105.59 -70.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -107.01 -25.96 11.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 74.12 -169.94 53.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.447 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -130.4 111.07 11.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.971 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -96.1 113.06 24.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.42 ' ND2' ' CG2' ' A' ' 176' ' ' THR . 25.1 t30 -53.31 120.85 22.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -50.24 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.308 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.42 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 7.7 t -37.91 -36.67 0.21 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -81.94 91.23 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . 0.496 ' HD3' ' CZ ' ' A' ' 180' ' ' PHE . 17.1 mmtp -132.89 64.23 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -103.21 -17.0 15.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.496 ' CZ ' ' HD3' ' A' ' 178' ' ' LYS . 10.9 p90 -74.25 176.58 6.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -118.2 61.8 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -104.57 18.31 22.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 53.3 mtp -78.52 116.03 18.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -73.79 136.65 43.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 30.9 t30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.8 m -60.01 140.33 56.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 t -49.94 -48.07 52.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.35 98.7 0.17 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -108.26 40.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -90.94 110.62 21.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.89 71.55 0.9 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 154.67 67.2 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.0 p -91.99 147.76 35.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.559 0.695 . . . . 0.0 111.151 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 87.25 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -108.35 44.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.7 m -120.17 121.56 39.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -78.6 177.11 8.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.461 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.1 tm? -47.42 110.97 0.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.405 ' N ' HD13 ' A' ' 14' ' ' LEU . 7.7 p -126.58 143.33 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -110.7 131.64 54.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -97.1 144.76 26.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -133.07 125.67 30.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -69.65 118.95 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 115' ' ' CYS . 33.5 m -154.04 -178.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -118.61 164.32 15.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -115.72 108.78 16.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.55 HD23 ' HG2' ' A' ' 45' ' ' MET . 6.3 mp -74.88 -38.81 61.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 145.92 -170.84 27.04 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.412 ' O ' HD21 ' A' ' 44' ' ' LEU . 9.1 tmm? -117.31 141.08 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.756 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.5 OUTLIER -144.91 118.51 5.56 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.587 0.708 . . . . 0.0 110.944 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.39 54.14 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.368 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.7 m -117.81 153.1 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -84.17 -35.21 23.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -112.94 144.79 31.75 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -26.2 27.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.249 . . . . 0.0 112.28 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.875 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.1 m -134.75 173.3 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.11 102.72 2.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.6 mmt -42.44 -54.37 3.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -45.86 -41.54 11.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.1 m -72.21 -41.33 67.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 98' ' ' ALA . 10.2 tt -62.05 -54.73 37.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -57.85 -32.26 67.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.9 t -58.77 -29.93 67.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.756 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -81.25 -28.4 34.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.51 HG23 HG11 ' A' ' 112' ' ' VAL . 10.7 mt -68.45 -60.65 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.125 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -52.72 -49.15 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -41.64 -39.94 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.412 HD21 ' O ' ' A' ' 25' ' ' MET . 10.5 mt -82.61 -57.47 3.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.55 ' HG2' HD23 ' A' ' 23' ' ' LEU . 6.0 mtt -41.8 -39.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.5 p -62.9 -52.61 62.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.1 t -62.34 -73.15 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.8 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.5 m -82.21 156.62 24.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -104.37 174.69 5.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 20.3 tttm -61.2 -20.62 62.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -94.35 -21.23 19.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -75.54 -22.89 56.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 4.1 m0 -77.14 112.71 24.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.627 0.727 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 53' ' ' TRP . 53.4 Cg_endo -69.79 144.32 53.5 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.3 m -75.87 127.35 32.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.9 m -138.5 166.89 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -105.32 116.9 32.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.496 ' CE ' ' CG ' ' A' ' 113' ' ' PHE . 39.7 ttm -82.79 99.82 9.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.528 ' ND2' HD12 ' A' ' 68' ' ' ILE . 7.5 m-80 -81.27 110.03 16.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.568 HG13 HG22 ' A' ' 65' ' ' VAL . 58.9 t -108.47 99.37 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.5 -175.39 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -46.29 -72.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HA ' HG21 ' A' ' 82' ' ' VAL . . . -121.11 32.41 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.54 HG23 ' HG2' ' A' ' 81' ' ' ARG . 5.0 m -151.08 127.2 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.568 HG22 HG13 ' A' ' 60' ' ' VAL . 73.2 t -113.94 107.79 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -109.34 148.83 30.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.429 ' CG1' HD12 ' A' ' 77' ' ' LEU . 17.7 t -111.23 123.32 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.528 HD12 ' ND2' ' A' ' 59' ' ' ASN . 45.3 mt -122.29 149.55 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.7 t -62.61 163.67 8.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -64.21 -46.66 82.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -89.71 -65.81 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -59.02 133.07 55.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.411 ' O ' HG21 ' A' ' 68' ' ' ILE . 10.7 pt-20 -91.27 -42.32 10.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.62 -29.81 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -51.57 102.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 76' ' ' VAL . 3.0 p -105.66 107.69 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.429 HD12 ' CG1' ' A' ' 67' ' ' VAL . 7.2 mt -79.19 -52.41 8.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.8 t -129.81 146.64 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -134.51 94.86 3.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.424 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 50.2 t -107.27 146.62 31.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.54 ' HG2' HG23 ' A' ' 64' ' ' THR . 54.1 mtt85 -116.83 124.45 49.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' A' ' 130' ' ' CYS . 57.5 t -35.6 -52.79 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -57.69 -43.18 84.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' ARG . 3.7 m-85 -69.27 -20.52 63.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 88' ' ' MET . 4.6 tt -54.75 110.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 87' ' ' PHE . 13.7 p -73.9 -60.51 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.875 ' HB2' HG12 ' A' ' 32' ' ' VAL . 68.6 t80 -154.09 127.59 8.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.601 ' HB3' HD21 ' A' ' 85' ' ' LEU . 5.4 ptp -110.93 157.25 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.51 172.36 44.88 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 96' ' ' THR . 55.5 t -117.01 138.09 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.404 ' O ' HG12 ' A' ' 90' ' ' VAL . . . -66.56 174.36 23.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.526 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -47.8 -21.3 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.99 136.34 48.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.421 ' HB ' HD13 ' A' ' 164' ' ' LEU . 11.1 m -71.92 -11.35 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.415 ' HB3' ' CZ2' ' A' ' 114' ' ' TRP . 18.7 m80 -87.46 17.56 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.808 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.512 ' O ' HG13 ' A' ' 90' ' ' VAL . 30.8 p -138.42 147.55 43.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -144.48 117.51 8.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.484 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -127.52 139.0 53.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.424 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 15.8 p90 -132.81 142.72 49.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.7 mt -99.84 114.47 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.438 ' SD ' ' C ' ' A' ' 102' ' ' ASP . 0.0 OUTLIER -107.07 167.48 9.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 102' ' ' ASP . 0.3 OUTLIER -106.31 115.87 30.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 36.7 p -81.25 -45.66 15.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -122.56 -100.75 1.57 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -121.88 -58.33 1.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.532 ' O ' ' CZ ' ' A' ' 108' ' ' PHE . 1.2 mp0 -101.14 -40.16 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -61.86 128.3 35.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.532 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 8.9 m-85 -127.69 133.33 49.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.37 148.43 27.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.9 t -125.16 107.24 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -93.58 149.17 21.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.51 HG11 HG23 ' A' ' 41' ' ' ILE . 3.7 t -124.09 143.58 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.496 ' CG ' ' CE ' ' A' ' 58' ' ' MET . 30.5 m-85 -144.11 130.22 19.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.415 ' CZ2' ' HB3' ' A' ' 95' ' ' HIS . 38.3 t-105 -84.49 121.9 28.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.573 ' SG ' HG21 ' A' ' 122' ' ' VAL . 72.6 m -93.98 166.17 12.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.448 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 45.9 mt-10 -151.77 124.13 3.99 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.625 0.726 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 54.3 Cg_endo -69.68 -47.35 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.747 -1.772 . . . . 0.0 112.362 -0.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.528 ' OD1' HD11 ' A' ' 164' ' ' LEU . 3.4 p30 -124.15 -175.44 3.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -102.03 51.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.41 ' N ' ' OD1' ' A' ' 118' ' ' ASN . . . -81.7 -51.04 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -79.25 -34.61 42.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.573 HG21 ' SG ' ' A' ' 115' ' ' CYS . 55.2 t -60.84 -57.03 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.172 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.2 m -68.1 -29.89 68.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.87 -38.72 83.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.03 -52.88 36.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.2 p -61.32 -46.96 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.515 ' N ' HG13 ' A' ' 126' ' ' VAL . 38.0 tt0 -55.03 -51.57 65.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.19 -28.05 63.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -57.09 -34.66 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.503 ' HA ' HG11 ' A' ' 82' ' ' VAL . 96.8 m -49.92 -46.91 52.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.4 m -90.05 -52.42 4.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -179.21 -146.13 6.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 150.33 68.06 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.254 . . . . 0.0 112.319 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 60.6 p -63.76 166.51 7.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 8.4 t -68.52 -45.05 73.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.835 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.99 165.76 23.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 16.9 mt -89.67 123.22 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.794 0.331 . . . . 0.0 111.122 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.3 -41.68 89.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 161.86 -110.64 0.44 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -104.01 169.37 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 147.74 131.4 2.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.8 m -101.55 101.99 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.7 m -75.25 94.61 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 42.16 61.52 2.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 56.0 m -95.3 42.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.806 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 10.9 t -147.05 169.58 18.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -149.23 80.5 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.493 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.2 t -54.41 -57.04 12.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.4 t -102.3 -44.6 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 99.78 147.05 20.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.4 m -126.07 127.42 45.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.831 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.6 m -61.93 108.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 136.45 -128.74 4.6 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.614 ' OD1' HG21 ' A' ' 157' ' ' VAL . 1.3 p30 -114.57 129.19 56.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 157' ' ' VAL . . . -114.87 163.3 15.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . 39.15 27.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.614 HG21 ' OD1' ' A' ' 154' ' ' ASP . 99.1 t -42.94 127.24 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 5.7 t -64.13 142.62 98.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.579 0.704 . . . . 0.0 111.163 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -5.92 17.4 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -50.94 25.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.49 -38.03 74.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 26.5 ttt180 -62.93 -35.83 81.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -69.04 -56.11 8.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.528 HD11 ' OD1' ' A' ' 118' ' ' ASN . 48.9 mt -47.81 -52.82 17.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 67.8 m -48.55 -47.74 39.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 24.2 mtpt -55.3 -30.68 60.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 45.3 mmm -73.63 -43.15 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -82.14 -2.33 51.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -95.25 -71.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -112.06 -33.8 6.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 85.07 -172.43 47.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.484 ' CD2' ' HG3' ' A' ' 127' ' ' GLN . 10.0 t80 -118.43 117.7 29.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.346 . . . . 0.0 110.902 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 25.5 mp0 -99.3 113.71 26.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.699 ' CG ' HG22 ' A' ' 176' ' ' THR . 17.6 t-20 -53.88 116.25 9.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.682 0.753 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -9.41 26.04 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.314 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.699 HG22 ' CG ' ' A' ' 174' ' ' ASN . 12.6 t -88.6 -29.44 19.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.34 65.35 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . 0.459 ' HG3' ' CE1' ' A' ' 180' ' ' PHE . 17.4 ttmm -76.15 90.82 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -130.08 38.12 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.459 ' CE1' ' HG3' ' A' ' 178' ' ' LYS . 48.0 p90 -111.47 157.41 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -130.35 65.43 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.91 -37.68 15.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 25.1 mtp -51.77 161.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.439 ' HG2' ' N ' ' A' ' 185' ' ' ASN . 18.3 tt0 -156.84 151.1 25.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . 0.439 ' N ' ' HG2' ' A' ' 184' ' ' GLN . 1.8 m-80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 p -41.26 129.19 2.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.842 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -119.76 129.79 54.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.16 -159.98 9.95 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.2 t -100.02 -48.57 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 0.0 110.876 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 t -76.5 -48.12 20.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.82 178.2 52.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.486 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 175.92 7.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 0.0 112.31 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.7 p -101.14 125.68 37.28 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.585 0.707 . . . . 0.0 111.157 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 103.51 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.741 2.294 . . . . 0.0 112.305 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -156.05 137.79 14.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.3 p -130.6 102.07 5.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -116.73 155.61 28.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.01 121.15 29.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.74 HG22 ' HB2' ' A' ' 61' ' ' ALA . 47.3 t -125.13 155.54 33.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' N ' ' CG1' ' A' ' 15' ' ' VAL . 32.2 mt-30 -102.94 113.45 26.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -94.51 119.06 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -108.13 124.46 50.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.46 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 8.7 tpp85 -65.58 123.07 18.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 19' ' ' ARG . 18.1 m -159.45 163.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -104.1 151.25 23.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -103.38 108.91 20.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.518 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 5.5 mp -73.35 -42.89 61.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.89 -172.68 30.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.496 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 25.9 ttp -116.75 138.33 51.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.843 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.535 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.7 OUTLIER -142.91 117.79 6.43 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.535 ' N ' HD13 ' A' ' 26' ' ' LEU . 53.7 Cg_endo -69.79 152.1 69.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.266 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.5 m -123.21 175.36 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -108.73 -31.04 7.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -113.31 145.67 33.71 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.506 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.3 Cg_endo -69.78 -29.94 22.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.845 HG12 ' HB2' ' A' ' 87' ' ' PHE . 20.4 m -138.47 153.48 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.3 108.99 0.99 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.8 mmt -53.11 -48.02 68.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -49.69 -26.02 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 87.3 m -94.51 -44.41 7.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.457 HD23 ' C ' ' A' ' 37' ' ' LEU . 9.2 tt -55.45 -47.43 76.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -70.23 -41.73 73.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.6 t -52.33 -19.6 2.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -89.92 -27.82 19.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.468 ' CD1' ' HA3' ' A' ' 91' ' ' GLY . 51.2 mt -65.75 -55.57 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -55.1 -51.43 66.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -39.1 -48.22 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 mt -74.52 -54.98 6.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.448 ' HG2' HD23 ' A' ' 23' ' ' LEU . 6.0 mtt -42.28 -42.05 2.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.4 p -63.54 -47.69 80.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.165 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.4 t -63.61 -69.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.3 m -90.15 145.65 24.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 m -96.43 164.09 12.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.811 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.0 tptp -43.89 -50.3 8.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.36 -28.23 66.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.7 -26.42 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.518 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 2.0 m0 -79.78 117.23 66.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.55 0.691 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 155.88 64.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.737 2.292 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 p -89.59 114.8 26.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.4 m -121.36 179.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -120.31 130.98 54.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.5 ttm -86.98 98.13 11.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.62 ' OD1' HD12 ' A' ' 68' ' ' ILE . 9.4 m-80 -81.64 94.95 7.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 65' ' ' VAL . 66.2 t -96.32 101.01 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.74 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -101.93 174.28 6.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.074 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -41.23 99.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 54.96 46.14 24.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.9 m -158.79 143.64 16.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 60' ' ' VAL . 75.5 t -136.58 105.32 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.0 m -111.35 148.28 33.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.714 HG12 HD12 ' A' ' 77' ' ' LEU . 40.2 t -107.86 125.18 64.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.62 HD12 ' OD1' ' A' ' 59' ' ' ASN . 32.1 mt -122.44 143.33 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -71.54 119.44 15.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -43.26 -26.36 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -77.94 -66.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 73' ' ' GLU . 64.4 t-20 -101.7 144.8 29.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.555 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.3 mp0 -82.0 -60.48 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -54.03 -19.52 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -67.7 88.57 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 76' ' ' VAL . 10.5 p -91.02 105.23 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.714 HD12 HG12 ' A' ' 67' ' ' VAL . 17.6 mt -70.93 -61.3 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.5 t -127.63 152.4 35.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -132.86 95.65 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.8 t -107.43 147.93 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 82' ' ' VAL . 23.6 mtt-85 -127.58 119.4 25.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 81' ' ' ARG . 44.6 t -34.66 -61.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -39.14 -43.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 85' ' ' LEU . 38.8 m-85 -72.92 -40.48 65.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.621 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.2 tt -35.58 122.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 81.3 p -92.13 -42.52 9.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.845 ' HB2' HG12 ' A' ' 32' ' ' VAL . 71.1 t80 -160.2 134.98 7.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.621 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.8 ptp -128.28 144.28 51.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -158.08 -167.88 19.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.594 HG11 ' HA ' ' A' ' 94' ' ' VAL . 62.2 t -126.93 129.16 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.381 . . . . 0.0 111.111 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.468 ' HA3' ' CD1' ' A' ' 41' ' ' ILE . . . -54.84 -171.94 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -54.65 -29.14 51.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.18 133.48 52.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.787 ' HB ' HD13 ' A' ' 164' ' ' LEU . 3.7 m -60.33 -23.24 27.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -68.19 -20.45 64.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.576 ' O ' HG13 ' A' ' 90' ' ' VAL . 69.6 p -96.01 150.82 20.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -147.86 113.33 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.433 ' HB2' HG13 ' A' ' 112' ' ' VAL . . . -121.99 152.95 39.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -144.62 137.76 26.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.5 mt -99.62 116.81 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.5 ptm -109.4 162.8 14.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -114.78 108.75 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.7 p -92.07 -46.59 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.179 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.1 -126.26 2.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -52.89 -174.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.325 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.444 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 29.9 mt-30 -47.38 -19.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 107' ' ' ARG . 6.0 ptm180 -63.39 114.57 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.506 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 5.5 m-85 -110.99 148.69 31.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -106.64 126.53 52.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.4 t -104.2 104.61 14.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.496 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 86.3 m-70 -96.85 130.68 44.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.433 HG13 ' HB2' ' A' ' 98' ' ' ALA . 2.8 t -110.5 144.56 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.489 ' CZ ' HG21 ' A' ' 67' ' ' VAL . 77.9 m-85 -143.1 124.89 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -73.31 117.63 15.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 74.4 m -91.6 161.17 15.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 14.5 mt-10 -147.15 127.95 7.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.598 0.714 . . . . 0.0 110.909 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.3 Cg_endo -69.75 -46.45 0.36 Allowed 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.362 -0.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.33 -175.71 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.686 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -100.7 40.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.99 -52.29 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -67.28 -53.72 27.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 80.6 t -53.42 -57.53 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.3 p -56.88 -39.11 73.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -62.97 -42.34 99.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.95 88.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.3 p -70.91 -41.22 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.419 ' N ' HG13 ' A' ' 126' ' ' VAL . 40.2 tt0 -59.07 -50.47 73.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.54 90.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.97 -47.06 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 71.7 m -41.9 -45.72 3.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 90.9 p -91.15 -50.7 5.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 110.48 145.96 10.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 133.73 26.19 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.331 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.1 m -105.35 -59.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 23.2 t -127.51 -44.74 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 78.8 95.34 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 47.8 mm -43.08 109.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 111.138 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.68 116.53 12.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 169.75 78.81 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.448 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -92.71 131.28 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 97.68 164.36 31.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.8 p -151.2 153.96 35.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.86 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.0 t -149.27 173.62 13.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 173.82 116.31 0.42 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 72.8 p -112.2 42.63 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.363 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.9 t -63.68 114.82 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -50.72 159.56 1.69 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.519 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 80.7 p -98.69 146.53 25.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 110.862 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 58.3 p -87.51 -49.21 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 177.01 -72.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.1 p -123.49 2.16 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.826 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 32.0 p -113.77 -49.99 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 68.76 -104.96 1.33 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -151.47 -175.93 5.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.34 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -166.04 144.81 5.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -164.6 109.52 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.45 HG13 ' CD ' ' A' ' 161' ' ' GLU . 59.2 t -70.08 121.79 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 13.7 t -53.23 141.19 41.99 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.644 0.735 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 6.0 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.718 2.279 . . . . 0.0 112.353 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.23 -49.02 10.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.45 ' CD ' HG13 ' A' ' 157' ' ' VAL . 12.4 pt-20 -73.41 -41.1 63.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 30.3 ttt-85 -48.38 -51.64 25.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -71.55 -48.25 49.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.787 HD13 ' HB ' ' A' ' 94' ' ' VAL . 19.5 mt -46.41 -43.87 16.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 4.3 m -53.89 -55.34 27.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -43.16 -44.02 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 9.7 mtp -61.36 -40.8 95.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.12 -23.03 57.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -77.84 -73.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -102.31 -35.2 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 87.88 -160.42 31.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -132.71 122.89 25.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -105.38 107.23 18.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.665 ' OD1' HG22 ' A' ' 176' ' ' THR . 31.1 t-20 -38.71 125.63 1.17 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -36.49 10.63 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.634 2.223 . . . . 0.0 112.378 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.665 HG22 ' OD1' ' A' ' 174' ' ' ASN . 1.8 t -66.31 -33.23 75.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -96.15 91.73 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.95 136.23 47.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.529 ' O ' ' CG ' ' A' ' 179' ' ' PHE . 57.9 t80 -128.96 50.03 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -93.32 157.69 16.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 182' ' ' GLN . 48.5 mt-10 -99.5 17.73 19.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 181' ' ' GLU . 14.6 mm-40 -31.18 -73.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 7.9 mtt -38.09 153.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -61.57 166.03 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -120.4 126.87 51.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -95.33 -56.89 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.812 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.07 -167.2 24.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 m -94.85 139.87 30.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 m -128.06 -43.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.75 -166.45 29.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 139.93 41.58 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.6 p -48.21 132.59 12.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 111.127 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 130.01 18.7 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -100.37 166.72 10.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 12' ' ' THR . 6.9 t -131.35 126.84 36.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -116.42 -178.75 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.16 136.78 37.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.481 HG23 ' CA ' ' A' ' 61' ' ' ALA . 9.9 p -139.21 150.53 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -124.9 145.27 49.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -107.39 158.73 16.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -137.74 125.84 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -66.81 110.24 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -149.02 -175.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -123.73 165.89 16.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -117.34 115.29 24.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.476 ' H ' HD12 ' A' ' 23' ' ' LEU . 4.8 mp -80.23 -43.92 20.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.566 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 152.34 178.42 27.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.482 ' SD ' ' N ' ' A' ' 26' ' ' LEU . 11.6 tmm? -106.05 138.99 41.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.709 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -140.64 117.34 7.8 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.608 0.718 . . . . 0.0 110.952 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.478 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.5 Cg_endo -69.76 148.96 66.23 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.74 139.22 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -89.27 -1.51 58.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 mmt-85 -126.46 132.83 24.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.624 0.726 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -28.92 24.46 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.631 2.221 . . . . 0.0 112.327 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.716 HG12 ' HB2' ' A' ' 87' ' ' PHE . 15.7 m -135.33 -175.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.02 113.79 3.55 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.6 mmt -61.02 -30.77 70.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.44 -17.24 63.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.7 m -98.23 -45.3 6.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.5 tt -59.15 -50.73 72.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -64.45 -32.14 73.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.2 t -63.88 -20.42 65.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.709 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -88.59 -19.14 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.7 mt -75.09 -61.89 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 46' ' ' THR . 3.4 mp0 -53.12 -35.51 59.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -55.56 -39.07 70.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.566 HD22 ' HA3' ' A' ' 24' ' ' GLY . 48.8 mt -81.95 -44.63 16.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 mtt -55.6 -46.26 77.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 42' ' ' GLU . 71.9 p -60.52 -35.14 75.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 t -73.88 -66.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.0 m -103.68 154.66 19.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.7 m -95.39 175.37 6.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 13.3 tptm -57.92 -51.05 71.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -67.45 -19.72 65.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.69 -23.44 56.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 12.0 m0 -76.87 120.53 82.06 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.582 0.705 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 131.14 20.68 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.756 2.304 . . . . 0.0 112.31 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.2 m -68.86 122.99 19.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.0 m -132.16 -175.38 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -124.32 124.03 41.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 29.7 ttm -87.24 107.13 18.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.473 ' ND2' HD12 ' A' ' 68' ' ' ILE . 5.1 m-80 -91.08 116.3 28.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.692 HG13 HG22 ' A' ' 65' ' ' VAL . 98.3 t -117.85 101.88 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.481 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -81.67 -176.07 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -45.91 -70.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.522 ' O ' HG22 ' A' ' 82' ' ' VAL . . . -118.64 43.13 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 61' ' ' ALA . 4.7 m -160.66 149.24 16.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.123 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.692 HG22 HG13 ' A' ' 60' ' ' VAL . 49.6 t -133.44 100.11 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.0 m -102.54 149.05 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.857 HG12 HD12 ' A' ' 77' ' ' LEU . 53.3 t -113.32 117.75 56.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.473 HD12 ' ND2' ' A' ' 59' ' ' ASN . 40.4 mt -112.13 149.12 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 75' ' ' GLU . 5.2 t -91.06 148.8 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -67.73 -21.71 65.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -67.27 -61.01 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -127.05 134.86 50.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.42 -25.81 67.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -88.25 1.96 53.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.472 ' CD ' ' CB ' ' A' ' 69' ' ' SER . 56.7 tt0 -83.63 82.53 8.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.711 HG13 ' O ' ' A' ' 76' ' ' VAL . 10.2 p -79.81 87.31 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.857 HD12 HG12 ' A' ' 67' ' ' VAL . 12.9 mt -52.79 -57.97 8.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 79' ' ' GLU . 79.3 t -137.63 154.9 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.452 ' N ' HG12 ' A' ' 78' ' ' VAL . 42.2 tt0 -128.42 96.16 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 30.1 t -99.77 147.21 25.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -132.62 132.09 42.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 63' ' ' ALA . 3.7 m -53.95 -40.15 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -73.51 2.28 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -123.39 -13.58 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.49 128.7 37.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.6 t -93.22 -50.68 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.716 ' HB2' HG12 ' A' ' 32' ' ' VAL . 89.1 t80 -152.19 144.6 24.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.6 ptp -137.8 157.05 47.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.59 173.78 46.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 96' ' ' THR . 56.3 t -107.53 144.5 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.887 0.375 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.53 -160.82 1.41 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -62.81 -39.92 95.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.772 0.32 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -98.87 138.1 36.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.4 m -64.73 -8.39 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -82.32 -19.38 39.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.712 ' O ' HG13 ' A' ' 90' ' ' VAL . 59.1 p -98.89 149.09 23.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -149.31 118.76 6.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.687 ' CB ' HG22 ' A' ' 112' ' ' VAL . . . -130.29 144.56 51.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -131.48 155.57 47.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.1 mt -111.7 115.25 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.411 ' SD ' ' C ' ' A' ' 102' ' ' ASP . 0.1 OUTLIER -110.36 165.6 11.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.516 ' OD2' ' CE1' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -109.74 117.26 33.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.9 p -81.49 -45.85 15.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.54 -94.51 1.53 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -125.73 -56.91 1.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.71 -43.78 4.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -57.72 109.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.516 ' CE1' ' OD2' ' A' ' 102' ' ' ASP . 9.4 m-85 -111.24 149.28 31.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -114.31 138.98 49.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.3 t -106.64 100.87 10.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -95.56 136.44 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.687 HG22 ' CB ' ' A' ' 98' ' ' ALA . 12.0 t -123.48 150.31 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -148.6 133.02 17.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.553 ' CE3' HG22 ' A' ' 96' ' ' THR . 35.5 t-105 -82.57 111.18 18.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 87.9 m -83.34 158.4 22.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.504 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 15.6 mt-10 -148.46 127.96 6.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.646 0.736 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.6 Cg_endo -69.8 -49.99 0.21 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.376 0.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.99 -175.76 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -105.97 47.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.462 ' O ' ' CB ' ' A' ' 124' ' ' GLU . . . -85.91 -46.3 10.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -75.94 -40.85 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.97 -66.2 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.6 m -58.74 -11.88 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 120' ' ' ALA . 17.1 tt0 -88.09 -35.76 17.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -75.73 -35.56 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.605 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.1 p -70.41 -52.22 31.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.605 ' N ' HG13 ' A' ' 126' ' ' VAL . 5.6 pt20 -50.14 -45.17 52.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.452 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . -72.17 -33.15 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -60.65 -20.77 61.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 85.2 m -76.49 -49.46 16.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.1 t -60.41 -61.03 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -172.92 178.51 44.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -47.88 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.286 . . . . 0.0 112.301 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 12.7 p -136.8 135.85 38.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 32.3 t -64.85 -47.58 77.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.37 122.67 4.89 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 18.8 mt -104.77 136.07 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 138' ' ' GLU . 1.3 pm0 -91.11 160.64 15.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -115.07 88.59 0.48 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.12 165.85 23.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.816 0.341 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 161.84 139.63 2.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.8 t -165.98 144.48 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 80.2 p -147.73 170.93 16.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -169.58 -57.99 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 71.0 m -127.67 141.85 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.8 t -118.79 145.2 45.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 150.43 73.89 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.2 m -135.23 177.2 8.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.369 . . . . 0.0 110.846 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.7 p -106.29 138.18 42.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -114.59 -157.52 11.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.52 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.5 m -144.66 134.88 24.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 60.8 p -109.26 97.98 7.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 75.88 75.36 0.86 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -110.37 164.41 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -72.17 139.98 48.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -172.08 108.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.493 HG23 ' CD ' ' A' ' 161' ' ' GLU . 5.6 p -64.64 124.13 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 4.4 t -61.13 143.24 92.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.499 0.666 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -2.55 10.34 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.7 2.266 . . . . 0.0 112.311 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -50.69 7.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.493 ' CD ' HG23 ' A' ' 157' ' ' VAL . 7.6 pt-20 -66.29 -35.59 80.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.421 ' NH2' HG11 ' A' ' 157' ' ' VAL . 26.3 ttm180 -65.43 -36.68 84.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -75.33 -32.06 60.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 73.7 mt -71.41 -28.54 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 35.3 m -76.24 -58.34 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . 0.537 ' CG ' ' N ' ' A' ' 167' ' ' MET . 5.9 ptmt -39.68 -49.84 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.537 ' N ' ' CG ' ' A' ' 166' ' ' LYS . 0.0 OUTLIER -50.39 -43.54 54.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -82.44 -15.52 52.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -80.18 -72.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -119.83 -31.23 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 99.65 -145.32 17.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -150.68 109.33 3.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.37 . . . . 0.0 110.944 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -90.21 105.48 17.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 12.6 t-20 -63.22 113.52 9.73 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -38.54 7.65 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 177' ' ' TYR . 5.3 t -38.58 -46.12 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . 0.517 ' N ' HG23 ' A' ' 176' ' ' THR . 1.6 t80 -105.91 69.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -106.06 75.71 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -124.3 106.19 10.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -111.51 178.57 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -128.6 68.95 1.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 183' ' ' MET . 1.5 tp60 -107.9 -58.37 1.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . 0.443 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 29.0 mtt -77.33 148.49 35.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -85.64 127.88 34.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 38.1 t30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -103.62 -50.16 3.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.817 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 p -42.7 -60.67 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.6 164.62 11.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 t -163.66 153.47 14.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.7 p -89.12 -42.83 11.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.28 -114.14 3.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -170.79 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.422 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 24.4 m -131.72 100.81 15.94 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.606 0.717 . . . . 0.0 111.091 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 9' ' ' THR . 53.8 Cg_endo -69.81 161.28 46.53 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -128.55 163.32 25.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.0 p -125.81 92.21 3.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -46.3 169.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.493 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.3 tm? -53.01 105.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.478 HG23 ' C ' ' A' ' 60' ' ' VAL . 7.2 p -121.0 138.4 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -104.93 117.34 33.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.4 146.96 23.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -134.33 134.53 41.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -78.19 111.08 13.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 115' ' ' CYS . 33.0 m -142.73 179.82 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -118.23 166.54 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -116.12 107.75 15.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.83 HD13 HG12 ' A' ' 112' ' ' VAL . 5.5 mp -73.63 -42.37 61.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.48 179.68 25.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.6 ' SD ' ' CE1' ' A' ' 111' ' ' HIS . 2.9 tpt -105.62 133.83 49.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.478 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -147.9 116.17 4.12 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.626 0.727 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.441 ' N ' HD13 ' A' ' 26' ' ' LEU . 53.9 Cg_endo -69.77 159.46 53.31 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.373 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.5 m -126.25 158.72 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -84.62 -38.05 20.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -115.45 143.01 29.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -17.29 37.69 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' A' ' 87' ' ' PHE . 27.8 m -139.47 162.5 26.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.68 102.75 2.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.4 mmt -48.27 -44.56 33.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -49.99 -37.91 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.1 m -82.87 -42.45 17.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.17 -44.04 78.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 41' ' ' ILE . 3.1 m-80 -70.01 -48.78 56.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -41.04 -27.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.478 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -83.15 -42.32 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.431 HG23 HG11 ' A' ' 112' ' ' VAL . 71.3 mt -53.66 -54.85 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -55.92 -50.92 69.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -37.54 -55.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' SER . 13.5 mt -70.94 -51.41 26.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' LEU . 7.9 mmt -36.62 -55.88 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.6 p -59.71 -35.96 75.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' LEU . 7.7 t -62.78 -65.44 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 m -106.38 143.2 34.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.1 m -79.97 161.72 25.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -47.77 -42.02 24.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -74.66 -35.94 62.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -54.27 -37.2 64.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.475 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 4.6 m0 -61.63 119.43 47.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.57 0.7 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 132.54 23.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.9 m -66.06 120.38 13.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.1 m -127.0 166.08 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -110.01 121.8 46.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.448 ' HE1' ' CD2' ' A' ' 113' ' ' PHE . 41.4 ttm -89.23 102.97 15.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.499 ' ND2' HD12 ' A' ' 68' ' ' ILE . 4.2 m-80 -90.91 110.18 21.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.478 ' C ' HG23 ' A' ' 15' ' ' VAL . 92.5 t -104.14 101.33 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' THR . . . -95.4 175.95 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -47.0 102.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 56.17 43.52 26.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 61' ' ' ALA . 37.6 m -161.52 138.31 8.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.406 HG22 HG22 ' A' ' 60' ' ' VAL . 92.7 t -128.59 96.51 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -96.79 135.62 38.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.0 t -97.59 110.77 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.499 HD12 ' ND2' ' A' ' 59' ' ' ASN . 96.4 mt -109.5 147.5 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 t -83.11 160.62 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -39.84 65.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -54.15 -62.19 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -114.45 171.32 7.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -97.89 -44.84 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.52 -37.17 86.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.658 ' OE2' HD23 ' A' ' 77' ' ' LEU . 20.7 tp10 -43.14 100.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 76' ' ' VAL . 5.7 p -106.85 88.13 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.092 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.658 HD23 ' OE2' ' A' ' 75' ' ' GLU . 19.9 mt -55.02 -52.16 64.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.52 HG11 ' CE1' ' A' ' 111' ' ' HIS . 59.2 t -138.99 140.34 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.127 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -119.19 96.99 5.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.467 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 46.8 t -103.57 148.23 26.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 82' ' ' VAL . 19.6 ttt180 -127.38 121.28 30.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' ARG . 95.5 t -33.6 -61.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.41 ' HA ' HG21 ' A' ' 176' ' ' THR . 56.5 mtp180 -41.82 -46.65 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' ARG . 11.5 m-85 -66.33 -43.09 87.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.449 HD13 ' HE1' ' A' ' 88' ' ' MET . 3.0 tt -40.97 112.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.2 p -78.23 -39.84 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.557 ' HB2' HG12 ' A' ' 32' ' ' VAL . 49.8 t80 -165.95 131.26 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.453 ' HE1' HG22 ' A' ' 126' ' ' VAL . 21.7 ptp -114.93 154.15 29.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.25 165.45 38.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.751 HG11 ' HA ' ' A' ' 94' ' ' VAL . 84.1 t -108.89 146.41 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.47 -174.48 38.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.1 mmtt -42.9 -47.49 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -94.34 117.02 29.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.751 ' HA ' HG11 ' A' ' 90' ' ' VAL . 3.9 m -46.81 -40.85 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.416 ' N ' ' CG2' ' A' ' 94' ' ' VAL . 16.7 m80 -43.01 -37.84 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.591 ' O ' HG13 ' A' ' 90' ' ' VAL . 27.5 p -75.41 159.45 31.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -158.35 114.75 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.486 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -130.04 153.32 48.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.062 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.467 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 42.6 p90 -138.05 140.73 40.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.3 mt -96.16 111.26 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.674 ' SD ' HG23 ' A' ' 103' ' ' THR . 0.6 OUTLIER -111.74 167.36 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -119.85 105.14 10.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.948 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.674 HG23 ' SD ' ' A' ' 101' ' ' MET . 17.2 p -76.61 -50.46 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.78 -122.45 2.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.533 ' H ' ' ND2' ' A' ' 105' ' ' ASN . 0.8 OUTLIER -58.39 -174.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.309 . . . . 0.0 110.933 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.548 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 0.5 OUTLIER -38.82 -25.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 105' ' ' ASN . 27.8 mtt180 -56.36 108.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.548 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 5.9 m-85 -109.02 141.53 41.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -109.7 145.57 36.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 12.8 t -120.38 112.57 19.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.6 ' CE1' ' SD ' ' A' ' 25' ' ' MET . 88.4 m-70 -95.57 128.14 42.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.83 HG12 HD13 ' A' ' 23' ' ' LEU . 27.6 t -108.48 136.46 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.466 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 55.7 m-85 -142.29 125.11 16.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -76.21 127.47 32.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.516 ' HA ' HG12 ' A' ' 20' ' ' VAL . 68.0 m -104.98 143.75 32.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 13.2 mp0 -129.48 131.37 23.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.681 0.753 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.6 Cg_endo -69.76 -47.87 0.29 Allowed 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.325 -0.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.24 -178.95 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.736 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -96.17 44.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 124' ' ' GLU . . . -81.56 -49.94 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -72.94 -56.35 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.7 t -49.01 -56.94 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 t -62.92 -38.6 91.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 120' ' ' ALA . 21.5 tt0 -63.57 -32.07 73.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.3 -58.0 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.1 p -56.33 -44.01 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.468 ' N ' HG13 ' A' ' 126' ' ' VAL . 43.7 tt0 -60.89 -45.77 93.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.76 -48.81 73.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -38.29 -42.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 91.3 m -51.62 -49.64 61.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 t -48.27 -43.91 33.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.53 160.14 27.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 0.41 5.68 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.8 m -38.57 147.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 34.0 t -112.38 117.15 31.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 158.24 98.9 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.42 122.68 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.88 138.91 32.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 179.67 37.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.538 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 137.15 47.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 110.838 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 142' ' ' SER . . . 150.09 -42.66 0.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.471 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 141' ' ' GLY . 43.4 p -35.36 109.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.871 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.3 m -153.51 118.05 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.19 -146.2 18.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.8 t -100.75 175.88 5.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 31.9 t -162.77 166.07 24.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -120.1 179.96 16.47 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 50.4 m -144.25 171.53 14.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.384 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 58.3 p -142.01 173.88 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 175.22 -136.87 3.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 62.0 m 52.72 41.89 31.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 15.1 t -37.7 148.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.806 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 174.12 51.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -166.21 176.22 7.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -73.36 162.87 28.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -160.66 105.55 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 13.2 p -52.2 143.64 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 8.7 t -71.06 142.07 87.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.533 0.683 . . . . 0.0 111.187 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -11.52 31.04 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.727 2.284 . . . . 0.0 112.352 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -70.3 -43.64 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.74 -52.69 23.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -47.16 -49.76 21.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -58.66 -69.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.736 HD21 ' C ' ' A' ' 119' ' ' ALA . 10.5 mt -40.86 -39.41 1.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 6.1 m -65.66 -47.78 74.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -59.05 -27.85 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 96.9 mmm -72.09 -53.35 13.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.464 ' OE1' HG12 ' A' ' 94' ' ' VAL . 8.6 pt20 -70.97 -23.79 62.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -72.8 -66.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -113.77 -30.93 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 79.72 -159.1 43.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.537 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 69.4 t80 -136.55 144.64 44.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -118.03 122.63 43.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.479 ' ND2' ' CG2' ' A' ' 176' ' ' THR . 24.6 t30 -64.79 119.54 58.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.653 0.74 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -41.98 3.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.639 2.226 . . . . 0.0 112.338 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.479 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 5.5 t -48.78 -24.11 1.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.11 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.86 58.27 0.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . 0.421 ' HG3' ' CE1' ' A' ' 180' ' ' PHE . 7.3 ttmm -86.55 40.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -98.53 36.38 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.421 ' CE1' ' HG3' ' A' ' 178' ' ' LYS . 46.3 p90 -107.04 172.96 6.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -130.6 68.75 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -108.78 -46.14 3.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 55.4 mmm -68.27 155.02 40.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -114.89 132.28 56.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 41.7 t30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -142.48 156.58 45.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -168.84 139.43 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.67 42.55 0.13 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -98.15 171.19 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -143.45 135.1 26.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' C ' ' HD3' ' A' ' 10' ' ' PRO . . . -153.35 77.69 0.21 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.546 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 9' ' ' THR . 53.9 Cg_endo -69.74 83.9 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.458 ' O ' HG22 ' A' ' 9' ' ' THR . 24.5 m 34.63 54.43 1.72 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.573 0.701 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 9' ' ' THR . 54.2 Cg_endo -69.69 84.56 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' NZ ' ' HG2' ' A' ' 13' ' ' GLU . 2.5 ptmm? -62.94 169.2 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.1 m -83.77 105.04 14.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.405 ' HG2' ' NZ ' ' A' ' 11' ' ' LYS . 77.0 mt-10 -82.82 173.94 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.521 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -74.71 105.19 5.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.421 HG23 ' C ' ' A' ' 60' ' ' VAL . 7.3 p -127.47 149.88 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.17 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -116.97 121.68 42.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -90.92 143.92 26.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -135.38 129.96 34.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -74.07 120.82 20.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' A' ' 115' ' ' CYS . 27.2 m -152.36 -178.6 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -121.04 155.23 34.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -106.7 118.17 35.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.526 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 6.3 mp -82.76 -43.23 17.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.19 -176.13 30.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.7 ttp -111.41 134.74 52.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.704 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -140.13 116.83 8.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.649 0.737 . . . . 0.0 110.92 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 151.08 69.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.5 m -121.82 168.27 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.82 -39.91 8.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -110.13 144.03 29.24 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.657 0.742 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.514 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.79 -25.22 28.7 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.651 HG12 ' HB2' ' A' ' 87' ' ' PHE . 34.4 m -135.34 150.92 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.77 98.03 0.78 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.6 mmt -44.27 -45.58 8.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.89 -42.66 48.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.1 m -73.11 -42.0 63.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.183 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.906 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.5 tt -59.33 -45.94 89.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -63.11 -39.7 95.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 t -57.77 -17.34 15.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.704 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -92.23 -33.53 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.06 -55.41 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 44' ' ' LEU . 38.4 mt-10 -57.9 -57.25 13.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' GLU . 39.0 m-20 -36.23 -29.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 42' ' ' GLU . 50.3 mt -90.26 -40.51 12.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.531 ' HE2' ' CH2' ' A' ' 53' ' ' TRP . 4.0 mtt -63.88 -43.98 94.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 t -61.09 -27.28 68.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.9 p -86.3 -63.22 1.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.9 m -97.37 147.61 24.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.51 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 3.0 m -92.03 170.02 10.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 30.7 tttt -55.03 -41.9 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -71.94 -31.93 66.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.25 -28.03 68.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.531 ' CH2' ' HE2' ' A' ' 45' ' ' MET . 2.0 m0 -76.39 114.18 35.75 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.544 0.688 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.95 20.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.0 m -95.25 125.0 39.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.0 m -133.67 156.96 42.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -98.55 120.01 38.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.534 ' HG2' HG23 ' A' ' 60' ' ' VAL . 48.6 ttm -87.61 105.58 17.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -89.94 97.5 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.534 HG23 ' HG2' ' A' ' 58' ' ' MET . 92.7 t -97.0 99.1 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.15 -179.78 6.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -49.3 -63.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -123.56 36.36 4.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.5 m -154.36 151.14 28.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 83.4 t -134.44 98.81 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -102.97 147.72 26.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.7 t -112.33 117.13 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.61 HG21 ' HA ' ' A' ' 73' ' ' GLU . 93.6 mt -111.77 127.94 68.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -66.85 126.5 29.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -43.8 -28.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -55.51 -62.62 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -131.33 163.16 28.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.61 ' HA ' HG21 ' A' ' 68' ' ' ILE . 30.0 tt0 -85.01 -27.09 26.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.84 -4.29 58.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -87.43 96.73 10.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 81.7 t -95.99 95.9 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.7 mt -61.54 -39.93 92.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.472 HG11 ' CD2' ' A' ' 111' ' ' HIS . 99.4 t -150.54 144.9 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -124.54 100.64 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.8 t -107.01 148.11 29.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' PHE . 17.5 mtp85 -128.64 120.99 27.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.624 HG13 ' SG ' ' A' ' 130' ' ' CYS . 98.9 t -38.15 -38.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -63.9 -43.53 95.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 81' ' ' ARG . 34.5 m-85 -72.67 -37.23 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.445 ' O ' ' CG ' ' A' ' 174' ' ' ASN . 1.3 tt -42.58 137.94 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.7 p -105.22 -44.5 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.651 ' HB2' HG12 ' A' ' 32' ' ' VAL . 40.6 t80 -160.18 145.1 14.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.5 ptp -135.83 146.87 47.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -163.14 -178.0 36.56 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.485 HG11 ' HA ' ' A' ' 94' ' ' VAL . 76.4 t -119.9 140.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.48 -179.63 41.86 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -41.62 -46.12 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.747 0.308 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -92.17 123.47 35.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.485 ' HA ' HG11 ' A' ' 90' ' ' VAL . 13.2 m -60.81 -19.66 19.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -66.66 -19.52 65.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.821 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.566 HG22 ' CE3' ' A' ' 114' ' ' TRP . 30.1 p -99.09 160.82 13.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -154.13 116.06 4.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.906 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -122.83 157.22 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 5.1 p90 -153.19 138.54 17.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.3 mt -96.76 118.56 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.5 ptm -108.3 159.38 16.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -99.42 117.63 34.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.0 p -116.49 39.79 3.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.97 -131.07 7.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.416 ' C ' ' N ' ' A' ' 107' ' ' ARG . 73.3 m-20 -57.0 -174.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.448 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 17.3 mt-30 -44.06 -22.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 107' ' ' ARG . 6.0 ptm180 -57.98 115.52 2.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.514 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 6.4 m-85 -120.14 142.38 48.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -109.86 131.91 54.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 32.7 t -107.62 111.07 23.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.518 ' HB3' ' CE1' ' A' ' 113' ' ' PHE . 93.5 m-70 -91.8 134.27 34.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.825 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.403 HG21 HD12 ' A' ' 44' ' ' LEU . 7.8 t -111.59 134.92 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.518 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 41.3 m-85 -137.11 133.93 35.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.566 ' CE3' HG22 ' A' ' 96' ' ' THR . 52.7 t-105 -85.94 120.42 27.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.464 ' HA ' HG12 ' A' ' 20' ' ' VAL . 66.2 m -101.9 155.21 18.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.51 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.1 mm-40 -140.99 131.68 13.42 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.672 0.749 . . . . 0.0 110.902 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.4 Cg_endo -69.76 -45.94 0.39 Allowed 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.361 -0.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.34 178.08 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.51 46.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.27 -64.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -58.84 -50.55 73.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.2 t -54.29 -55.64 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.3 p -60.45 -40.13 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -61.59 -41.47 97.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.0 -54.08 39.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 127' ' ' GLN . 6.3 p -60.54 -47.32 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.497 ' N ' HG13 ' A' ' 126' ' ' VAL . 22.9 tt0 -51.38 -59.84 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.09 -41.51 75.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.508 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -38.85 -38.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.624 ' SG ' HG13 ' A' ' 82' ' ' VAL . 69.0 m -67.04 -63.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.1 p -49.5 -51.44 36.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.75 109.85 1.88 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -29.2 24.06 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.67 2.247 . . . . 0.0 112.302 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.1 m -71.64 162.06 30.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.7 t 59.37 44.56 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -139.96 152.11 22.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.616 ' H ' HD12 ' A' ' 137' ' ' ILE . 5.4 mp -69.55 119.28 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -109.55 139.84 44.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 164.58 150.53 6.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -130.67 153.69 48.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.81 0.338 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -87.06 151.62 23.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.7 t -158.55 146.85 18.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 32.6 t -103.46 -59.84 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 116.42 -109.27 1.93 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.543 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.9 m -81.68 118.33 22.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.7 t -143.49 176.61 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -179.48 -152.54 10.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.7 m 43.96 48.75 7.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 110.863 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 26.6 p -85.79 177.85 7.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 161.08 108.05 0.23 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 99.4 p -145.96 167.08 24.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.9 t -144.97 114.85 7.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.7 164.85 22.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -165.15 112.49 0.99 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.84 0.353 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -144.09 133.62 23.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -168.1 110.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 157' ' ' VAL . 11.9 p -66.19 127.46 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 15.1 t -53.22 141.14 42.16 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.526 0.679 . . . . 0.0 111.18 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 6.73 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -80.0 -57.26 3.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 162' ' ' ARG . 6.4 pt-20 -67.15 -39.99 86.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.46 ' N ' ' HG3' ' A' ' 161' ' ' GLU . 34.5 ttp180 -61.81 -44.6 96.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . 0.404 ' CE1' HE22 ' A' ' 127' ' ' GLN . 10.9 t60 -71.58 -38.86 70.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.34 -38.09 79.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 89.3 p -64.37 -58.42 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -38.82 -40.25 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.9 mtp -67.96 -49.95 58.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.25 -16.83 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -83.0 -73.32 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -105.3 -48.05 3.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 90.8 176.12 44.14 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.541 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -104.13 122.61 45.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -100.64 94.46 6.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 85' ' ' LEU . 6.8 t-20 -38.35 100.01 0.2 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.631 0.729 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 176' ' ' THR . 53.4 Cg_endo -69.72 -49.3 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.735 2.29 . . . . 0.0 112.309 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 177' ' ' TYR . 6.8 t -33.19 -45.2 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . 0.464 ' N ' HG23 ' A' ' 176' ' ' THR . 1.2 t80 -72.75 94.51 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -52.98 -174.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 60.94 49.91 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -115.81 164.1 14.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -121.57 65.48 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' ' 183' ' ' MET . 17.9 pt20 -49.38 -42.43 42.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . 0.435 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 3.2 mmt -81.7 161.41 23.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -123.41 161.62 24.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.8 p -124.99 -51.17 1.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.826 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p 39.34 43.94 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.05 -175.63 47.86 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.539 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -162.41 121.91 2.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 p -110.27 132.06 54.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.0 -93.21 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 163.98 36.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.652 2.234 . . . . 0.0 112.346 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.1 m -132.31 107.37 13.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.5 69.43 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.732 2.288 . . . . 0.0 112.322 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.61 43.82 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m 50.58 46.94 25.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -53.9 154.93 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' HA ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -104.53 110.85 23.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG23 ' HB2' ' A' ' 61' ' ' ALA . 7.8 p -125.97 158.64 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -109.04 135.34 50.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.78 146.07 41.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -132.85 142.94 49.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.418 ' C ' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -78.84 122.25 25.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.418 HG13 ' C ' ' A' ' 19' ' ' ARG . 5.7 m -157.25 178.52 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -119.66 162.67 18.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -114.62 115.36 27.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.4 mp -85.61 -32.11 22.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.63 -168.59 25.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -122.33 137.47 54.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.758 0.313 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.772 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -138.28 116.66 9.48 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.579 0.704 . . . . 0.0 110.934 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 150.28 67.83 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.632 2.221 . . . . 0.0 112.296 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.4 m -123.37 159.06 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -91.38 -37.92 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -110.88 144.06 29.55 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.738 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.516 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.74 -30.6 22.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.2 m -122.01 -177.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.9 106.24 2.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.425 ' CE ' ' HA3' ' A' ' 89' ' ' GLY . 4.6 mmt -57.16 -29.1 63.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.308 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.14 -23.66 64.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.1 m -88.3 -49.65 6.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.153 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.424 HD23 ' C ' ' A' ' 37' ' ' LEU . 10.5 tt -58.63 -52.23 66.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -58.88 -26.54 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 t -69.56 -27.47 65.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.772 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -80.16 -26.12 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.42 HG23 HG11 ' A' ' 112' ' ' VAL . 59.4 mt -66.63 -57.25 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.497 ' O ' HG22 ' A' ' 46' ' ' THR . 14.1 mt-10 -57.68 -54.12 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' GLU . 61.1 m-20 -36.35 -34.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.629 HD12 HG21 ' A' ' 112' ' ' VAL . 32.3 mt -87.14 -53.41 4.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.469 ' HG2' HD23 ' A' ' 23' ' ' LEU . 6.1 mtt -47.81 -45.26 29.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.7 t -63.98 -26.8 68.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.7 t -81.67 -63.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' MET . 4.6 m -97.83 157.6 15.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.54 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.5 m -97.2 173.2 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 23.6 tttm -62.32 -48.66 78.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.65 -21.79 61.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -73.59 -21.68 60.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 18.9 m0 -73.71 118.37 68.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.696 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 135.32 30.2 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.1 p -64.39 127.68 32.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.81 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.6 m -138.46 150.09 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.85 119.62 36.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.3 tpp -82.9 114.03 20.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -100.6 123.84 45.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.664 HG13 HG22 ' A' ' 65' ' ' VAL . 49.1 t -122.59 98.99 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.514 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -95.69 -178.39 4.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -49.99 110.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 48.16 39.98 12.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 61' ' ' ALA . 33.6 m -157.99 139.47 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.664 HG22 HG13 ' A' ' 60' ' ' VAL . 99.0 t -131.15 102.25 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -103.27 141.16 36.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.435 HG12 HD12 ' A' ' 77' ' ' LEU . 45.6 t -103.1 110.49 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.684 HG23 ' O ' ' A' ' 73' ' ' GLU . 83.6 mt -106.15 142.54 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 75' ' ' GLU . 13.2 t -73.91 157.11 36.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -80.06 -38.87 30.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -69.42 -40.41 77.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.424 ' HB3' ' CB ' ' A' ' 75' ' ' GLU . 50.8 t-20 -124.44 145.09 49.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.684 ' O ' HG23 ' A' ' 68' ' ' ILE . 32.4 mt-10 -83.08 -68.47 0.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.67 -24.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.424 ' CB ' ' HB3' ' A' ' 72' ' ' ASN . 61.1 tt0 -57.59 97.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 76' ' ' VAL . 1.8 p -95.52 86.82 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.435 HD12 HG12 ' A' ' 67' ' ' VAL . 39.0 mt -50.07 -54.08 22.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 79' ' ' GLU . 78.2 t -140.12 157.17 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.482 ' N ' HG12 ' A' ' 78' ' ' VAL . 41.6 tt0 -133.65 99.77 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.463 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 43.0 t -109.99 148.04 32.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 82' ' ' VAL . 16.2 mtp85 -125.01 121.41 34.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' ARG . 96.6 t -36.14 -57.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -47.89 -46.1 31.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -65.62 -35.29 80.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 87' ' ' PHE . 2.5 tt -45.74 129.7 9.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.7 p -98.71 -40.01 8.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.443 ' N ' HD23 ' A' ' 85' ' ' LEU . 53.6 t80 -160.22 134.02 7.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.43 ' HB3' HD21 ' A' ' 85' ' ' LEU . 9.9 ptp -126.96 138.82 53.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.425 ' HA3' ' CE ' ' A' ' 34' ' ' MET . . . -150.32 -173.5 20.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.497 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 96' ' ' THR . 46.1 t -127.9 128.41 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 111.155 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.96 175.78 0.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -53.55 -17.53 2.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -110.25 131.3 55.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.761 ' HB ' HD22 ' A' ' 164' ' ' LEU . 12.6 m -64.07 -14.59 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -83.31 -5.94 59.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.586 ' O ' HG13 ' A' ' 90' ' ' VAL . 76.7 p -109.75 148.82 30.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -153.79 112.99 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -120.56 161.36 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.463 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 8.7 p90 -149.0 140.92 23.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mt -102.33 114.66 42.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.0 ptm -105.74 160.57 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.51 116.01 28.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.7 p -111.99 41.18 2.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 156.65 -121.87 1.12 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -108.9 -65.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.779 0.323 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.555 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 28.9 mt-30 -108.38 -40.46 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -60.3 123.28 16.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.555 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 5.4 m-85 -124.73 142.55 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -108.5 152.85 24.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 15.2 t -128.74 120.9 27.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 96.6 m-70 -102.62 135.84 43.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.629 HG21 HD12 ' A' ' 44' ' ' LEU . 6.2 t -111.73 137.05 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 21.8 m-85 -140.15 128.74 22.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 38.4 t-105 -84.5 114.22 21.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.61 ' SG ' HG21 ' A' ' 122' ' ' VAL . 97.5 m -86.66 165.49 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.478 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 22.1 mt-10 -150.79 126.72 5.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.634 0.731 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.4 Cg_endo -69.79 -48.88 0.25 Allowed 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.38 -0.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.53 -176.91 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -100.12 43.52 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.497 ' HB2' HD11 ' A' ' 164' ' ' LEU . . . -79.43 -61.88 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -62.71 -44.22 96.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.61 HG21 ' SG ' ' A' ' 115' ' ' CYS . 83.6 t -57.8 -48.4 83.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.0 t -75.79 -12.08 60.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.48 -38.42 20.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.8 -41.67 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 127' ' ' GLN . 12.4 p -71.11 -41.82 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.461 ' N ' HG13 ' A' ' 126' ' ' VAL . 3.1 tp-100 -58.3 -57.57 12.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.3 -32.42 73.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -51.75 -43.11 62.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 93.6 m -54.63 -40.16 68.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -70.73 -50.69 33.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 118.37 160.8 11.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.45 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 91.7 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.659 2.24 . . . . 0.0 112.365 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.4 t -90.04 167.7 12.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 54.5 p -103.11 147.11 27.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.7 150.66 47.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 138' ' ' GLU . 54.6 mt -60.34 116.69 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 111.134 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 137' ' ' ILE . 17.0 mm-40 -35.64 111.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -134.69 109.07 0.75 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.522 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -99.92 86.2 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -79.0 137.77 19.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.442 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.2 t -133.94 159.93 39.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.901 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 144' ' ' GLY . 2.3 m -73.41 -46.74 46.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 143' ' ' SER . . . 35.26 -130.15 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.8 m -82.79 168.92 16.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.381 . . . . 0.0 110.889 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 27.6 t -103.78 149.29 25.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.921 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 147.84 56.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.9 m -138.64 119.29 14.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 67.7 m -159.35 170.74 21.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 138.3 118.34 1.64 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.2 t -143.32 155.72 44.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.371 . . . . 0.0 110.864 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.3 t -134.05 121.82 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -117.65 61.7 0.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -137.18 166.82 22.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.39 139.42 57.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -163.88 108.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.035 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 6.1 p -43.19 130.59 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.409 ' CG2' ' HG3' ' A' ' 161' ' ' GLU . 6.4 t -66.78 142.57 97.56 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.556 0.693 . . . . 0.0 111.151 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 0.99 4.85 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.614 ' O ' HD12 ' A' ' 164' ' ' LEU . 8.6 mm-40 -80.23 -54.22 5.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.409 ' HG3' ' CG2' ' A' ' 158' ' ' THR . 8.6 mt-10 -61.66 -36.56 81.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -59.93 -33.31 71.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -62.16 -69.54 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.761 HD22 ' HB ' ' A' ' 94' ' ' VAL . 4.2 mp -40.75 -43.86 2.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 2.3 m -48.38 -42.51 31.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -65.83 -38.44 88.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 41.1 mmm -62.68 -35.6 80.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -87.24 -16.28 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -76.94 -72.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -110.15 -30.61 7.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 86.88 -169.44 40.5 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -131.96 123.9 28.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.883 0.373 . . . . 0.0 110.901 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -106.8 105.51 15.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.469 ' ND2' HG22 ' A' ' 176' ' ' THR . 28.7 t30 -42.16 122.62 2.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.655 0.741 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -50.54 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.469 HG22 ' ND2' ' A' ' 174' ' ' ASN . 5.3 t -53.25 -40.1 64.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . 0.404 ' N ' HG23 ' A' ' 176' ' ' THR . 18.0 t80 -107.25 119.76 40.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -144.07 123.09 12.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.428 ' CD2' ' HG3' ' A' ' 31' ' ' PRO . 8.3 t80 -84.19 -51.44 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.92 173.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 183' ' ' MET . 2.3 pt-20 -132.02 70.44 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 181' ' ' GLU . 7.8 pt20 32.75 34.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . 0.51 ' N ' ' O ' ' A' ' 181' ' ' GLU . 2.4 mmm -94.4 143.5 26.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -46.81 160.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.6 m -151.14 173.74 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -108.44 90.55 3.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.14 140.5 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -169.38 114.39 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 110.819 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -132.72 174.15 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.99 150.46 5.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 160.66 48.87 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.5 t -41.03 144.15 0.67 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.605 0.716 . . . . 0.0 111.126 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 92.56 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.729 2.286 . . . . 0.0 112.343 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -89.24 106.23 18.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.8 m -153.53 122.39 6.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -96.65 149.9 21.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.488 HD23 ' N ' ' A' ' 15' ' ' VAL . 4.6 tt -46.06 146.65 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.521 HG23 ' CA ' ' A' ' 61' ' ' ALA . 12.9 p -131.18 153.08 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -102.86 134.12 46.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.432 ' H ' ' CD ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -103.9 142.1 34.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -122.31 155.48 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -92.57 111.21 22.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 115' ' ' CYS . 21.8 m -147.63 178.12 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -119.11 155.43 31.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -105.51 116.85 32.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.49 HD23 ' HG2' ' A' ' 45' ' ' MET . 6.0 mp -85.07 -36.13 21.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.54 -169.38 25.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.8 ttp -120.38 138.85 53.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.531 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -140.3 118.04 8.24 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.597 0.713 . . . . 0.0 110.936 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.471 ' N ' HD13 ' A' ' 26' ' ' LEU . 54.5 Cg_endo -69.71 148.74 66.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.262 . . . . 0.0 112.383 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.5 m -121.16 -177.37 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.64 -43.71 3.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -99.03 141.55 23.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.568 0.699 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -17.07 37.83 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.429 HG12 ' HB2' ' A' ' 87' ' ' PHE . 16.4 m -143.51 176.3 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.98 106.93 3.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -52.82 -34.04 51.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -63.61 -32.41 73.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.8 m -79.66 -45.56 18.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.6 tt -61.04 -47.65 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -61.16 -34.6 75.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.411 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 5.0 t -63.26 -17.23 62.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -91.73 -24.49 19.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.63 HG23 HG11 ' A' ' 112' ' ' VAL . 19.8 mt -71.32 -57.56 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -56.54 -46.13 80.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 39' ' ' SER . 62.5 m-20 -41.04 -45.4 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 47' ' ' SER . 10.8 mt -80.28 -57.57 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.49 ' HG2' HD23 ' A' ' 23' ' ' LEU . 4.8 mtt -39.87 -31.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.856 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.5 p -77.09 -43.01 35.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' LEU . 72.8 m -61.98 -57.56 11.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.1 m -106.54 158.24 17.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.449 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 12.8 m -96.11 177.4 5.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.569 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 18.9 tptp -62.71 -39.84 95.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.21 -26.21 55.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -69.94 -20.2 63.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.569 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 14.1 m0 -78.84 114.64 45.69 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.515 0.674 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 149.15 66.02 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.232 . . . . 0.0 112.31 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -78.94 127.95 32.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.1 m -135.57 155.66 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -98.01 116.01 29.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.2 tpp -84.17 114.9 22.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -98.8 115.89 29.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.459 HG11 ' CB ' ' A' ' 125' ' ' ALA . 92.1 t -113.15 100.48 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.521 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -80.13 -175.14 4.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -50.64 -61.87 1.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.86 32.24 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.463 HG22 ' N ' ' A' ' 65' ' ' VAL . 64.7 m -149.17 156.14 41.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.463 ' N ' HG22 ' A' ' 64' ' ' THR . 86.0 t -136.79 114.78 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.0 m -114.54 147.89 38.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.511 HG12 HD12 ' A' ' 77' ' ' LEU . 91.8 t -109.12 109.93 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.0 mt -106.36 136.71 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.5 t -63.65 144.44 57.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' C ' ' CD ' ' A' ' 70' ' ' GLU . 5.7 tm-20 -60.18 -39.13 85.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -72.13 -73.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -75.14 168.63 19.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 13.9 pt-20 -113.32 -37.61 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 9.1 pm0 -88.95 7.89 32.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -87.08 89.19 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 76' ' ' VAL . 1.7 p -79.84 95.5 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.511 HD12 HG12 ' A' ' 67' ' ' VAL . 45.1 mt -62.44 -40.5 96.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 79' ' ' GLU . 35.0 t -153.33 152.51 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.0 tt0 -132.08 104.5 6.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.6 t -114.23 135.23 54.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.514 ' HB2' ' CD2' ' A' ' 84' ' ' PHE . 6.2 mpt_? -115.63 138.28 51.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 130' ' ' CYS . 99.8 t -44.17 -37.33 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 14.8 ptt180 -65.01 -35.3 80.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 81' ' ' ARG . 16.6 m-85 -84.26 -16.64 42.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 88' ' ' MET . 3.3 tt -67.67 101.9 1.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.3 t -70.21 -59.08 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.429 ' HB2' HG12 ' A' ' 32' ' ' VAL . 8.6 t80 -154.31 132.21 11.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.544 ' HB3' HD21 ' A' ' 85' ' ' LEU . 6.1 ptp -111.2 167.14 10.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.37 -175.56 46.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 64.5 t -131.53 144.32 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.5 -171.51 5.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.5 -14.37 19.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.36 154.61 29.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.648 ' HB ' HD22 ' A' ' 164' ' ' LEU . 9.4 m -87.6 -6.48 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 32.6 m80 -87.69 7.34 30.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.463 HG22 ' CE3' ' A' ' 114' ' ' TRP . 43.0 p -123.9 162.47 23.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -155.6 114.2 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.845 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -126.05 133.49 51.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.07 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -129.01 144.03 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.4 mt -99.01 127.44 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 28.2 ptm -126.5 167.26 15.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -115.61 112.82 22.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.8 p -97.5 -46.14 6.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.52 -129.19 2.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 107' ' ' ARG . 3.6 m-20 -56.28 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.33 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.559 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 17.4 mt-30 -42.68 -23.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 105' ' ' ASN . 24.8 mtp85 -64.37 105.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.559 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 3.3 m-85 -98.27 147.96 24.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -106.91 125.78 51.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.8 t -106.89 109.39 21.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -96.16 138.27 34.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.63 HG11 HG23 ' A' ' 41' ' ' ILE . 2.6 t -115.24 144.04 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -140.93 131.26 25.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.493 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 33.7 t-105 -89.17 121.57 31.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.632 ' SG ' HG21 ' A' ' 122' ' ' VAL . 66.3 m -96.38 175.09 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 49.2 mt-10 -159.17 126.49 2.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.524 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 53.4 Cg_endo -69.73 -50.3 0.19 OUTLIER 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.345 -0.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.36 177.59 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.67 31.58 2.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.12 -72.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -46.72 -43.27 17.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.632 HG21 ' SG ' ' A' ' 115' ' ' CYS . 95.5 t -60.76 -65.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.0 m -59.74 -19.83 52.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.97 -36.13 62.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.459 ' CB ' HG11 ' A' ' 60' ' ' VAL . . . -67.7 -49.69 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 3.2 p -62.81 -41.42 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.407 ' OE1' ' CD2' ' A' ' 172' ' ' TYR . 2.9 tp-100 -50.81 -50.77 55.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.39 -28.59 59.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -47.28 -45.13 23.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.576 ' HA ' HG11 ' A' ' 82' ' ' VAL . 78.7 m -52.33 -60.01 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.5 t -104.38 42.99 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -69.74 -69.67 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.553 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 114.26 3.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.292 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.1 m -159.17 160.6 35.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 49.6 p -122.18 150.27 42.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 97.37 124.86 4.95 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 24.8 mt -110.19 123.83 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -146.02 157.89 43.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 103.88 83.51 1.7 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 140' ' ' ARG . 9.2 ttp-105 -47.97 -53.86 14.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 87.45 97.14 0.89 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.3 m -142.46 128.08 19.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 45.4 t -110.59 -39.96 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 104.82 -173.98 21.29 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.0 m 60.63 43.96 12.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 49.0 m -119.33 86.14 2.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 178.26 -156.09 18.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.1 m -55.71 109.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.7 m -167.73 174.35 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 152.79 85.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 21.8 m -118.12 137.32 53.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.907 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 15.9 t -53.97 140.61 30.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 86.01 69.47 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -95.09 100.39 12.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -109.61 156.48 20.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -175.04 113.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 7.7 p -46.37 138.48 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.49 HG23 ' H ' ' A' ' 161' ' ' GLU . 6.5 t -77.74 140.54 63.39 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.593 0.711 . . . . 0.0 111.153 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -1.09 7.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.355 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -88.42 -38.45 15.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.49 ' H ' HG23 ' A' ' 158' ' ' THR . 5.3 mm-40 -69.36 -57.76 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 161' ' ' GLU . 13.4 ptt180 -36.94 -38.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 164' ' ' LEU . 27.4 t60 -79.54 -64.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.648 HD22 ' HB ' ' A' ' 94' ' ' VAL . 10.3 mt -36.06 -44.16 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 3.9 m -70.09 -50.32 42.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -48.06 -26.6 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.419 ' SD ' ' CE1' ' A' ' 163' ' ' HIS . 77.8 mmm -74.8 -51.17 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -79.89 -7.96 59.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -82.28 -63.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -125.8 -26.53 3.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 83.74 -172.98 50.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.407 ' CD2' ' OE1' ' A' ' 127' ' ' GLN . 7.2 t80 -121.37 91.23 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.386 . . . . 0.0 110.939 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.59 115.37 8.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.521 ' CG ' HG22 ' A' ' 176' ' ' THR . 35.7 t30 -57.57 109.93 2.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.567 0.699 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -20.31 34.9 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.521 HG22 ' CG ' ' A' ' 174' ' ' ASN . 12.4 t -79.57 -23.56 42.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -101.0 77.85 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . 0.429 ' HD3' ' CZ ' ' A' ' 180' ' ' PHE . 4.0 tppp? -105.56 79.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -92.54 -33.38 14.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.429 ' CZ ' ' HD3' ' A' ' 178' ' ' LYS . 22.0 p90 -70.45 179.38 2.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -131.24 68.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -108.32 -50.66 3.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . 0.423 ' N ' ' SD ' ' A' ' 183' ' ' MET . 0.0 OUTLIER -53.53 147.67 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -112.8 162.61 15.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.9 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.4 p -174.74 163.39 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p 40.21 42.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.66 -169.51 12.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -90.77 114.35 26.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.938 0.399 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -156.36 118.81 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.73 -95.93 0.1 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 121.82 8.52 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.339 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.3 p -130.85 121.81 19.16 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.571 0.701 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -171.82 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.286 . . . . 0.0 112.37 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -70.09 146.81 50.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.5 p -77.66 91.21 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -82.28 154.49 25.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -79.66 117.19 20.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.604 HG23 ' HA ' ' A' ' 61' ' ' ALA . 14.7 p -108.58 153.69 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.704 HE22 ' HB1' ' A' ' 125' ' ' ALA . 1.7 pt20 -97.15 134.93 39.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -113.33 139.26 49.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 16' ' ' GLN . 83.3 m-85 -121.38 156.01 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -97.05 108.22 20.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.83 HG12 ' HA ' ' A' ' 115' ' ' CYS . 34.7 m -144.22 172.71 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -108.02 158.11 17.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -109.84 106.25 15.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.655 HD13 HG12 ' A' ' 112' ' ' VAL . 4.9 mp -73.0 -37.05 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.12 -174.38 23.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.7 ttp -108.2 140.18 41.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.624 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -147.01 117.67 4.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.559 0.695 . . . . 0.0 110.915 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.624 ' N ' HD13 ' A' ' 26' ' ' LEU . 54.1 Cg_endo -69.72 146.74 61.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -110.3 156.61 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -80.6 -34.93 34.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -129.06 150.75 76.22 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.624 0.726 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.537 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.77 -15.38 37.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 87' ' ' PHE . 16.8 m -142.91 153.74 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.68 95.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -43.14 -41.39 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -56.17 -42.21 76.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.5 m -72.72 -43.33 63.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.408 ' C ' HD23 ' A' ' 37' ' ' LEU . 10.3 tt -55.48 -43.96 76.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -70.5 -41.77 72.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.0 t -54.1 -18.26 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.96 -39.29 13.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 70.1 mt -52.59 -54.55 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -57.07 -50.78 71.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -39.99 -34.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.9 mt -90.74 -54.55 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.4 mtt -43.65 -44.86 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.4 p -70.18 -47.1 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.142 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.9 t -44.65 -68.42 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -105.84 176.51 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 p -93.34 165.31 12.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -66.45 -17.82 65.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -93.88 -21.36 19.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.427 ' C ' ' OD1' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -69.0 -32.4 71.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.474 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 4.5 m0 -61.8 113.55 8.71 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.544 0.687 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 53' ' ' TRP . 53.2 Cg_endo -69.82 131.18 20.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.622 2.215 . . . . 0.0 112.299 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 p -64.78 128.47 35.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 m -138.93 164.52 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -99.35 123.72 43.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.5 ttm -89.5 106.22 18.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 66' ' ' THR . 2.8 m-80 -86.67 119.16 26.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.552 HG13 HG22 ' A' ' 65' ' ' VAL . 59.3 t -122.01 99.02 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.604 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -81.36 -175.77 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.636 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 8.6 t70 -49.92 -59.89 3.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.91 39.53 3.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 61' ' ' ALA . 83.5 m -156.55 151.52 26.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.552 HG22 HG13 ' A' ' 60' ' ' VAL . 84.0 t -134.8 100.3 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 59' ' ' ASN . 9.1 m -100.56 148.86 24.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.183 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 t -112.69 108.27 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 94.4 mt -106.61 146.14 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -79.11 160.81 26.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -75.48 -38.35 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -54.64 -58.46 7.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -118.57 174.49 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -104.0 -40.38 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -63.86 -33.42 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -50.1 112.79 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 76' ' ' VAL . 2.4 p -114.07 80.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 mt -48.29 -63.19 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.51 HG11 ' CD2' ' A' ' 111' ' ' HIS . 61.9 t -127.01 138.48 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -122.61 94.96 4.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.411 ' SG ' ' CB ' ' A' ' 101' ' ' MET . 29.6 t -106.13 147.58 28.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' PHE . 45.7 mtt180 -123.09 126.92 47.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' ARG . 87.7 t -33.88 -47.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -54.06 -46.77 72.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 81' ' ' ARG . 11.7 m-85 -71.66 -20.17 61.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.3 tt -57.6 113.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.1 t -81.6 -61.11 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.517 ' HB2' HG12 ' A' ' 32' ' ' VAL . 83.3 t80 -150.46 130.41 13.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.652 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.2 ptp -119.03 151.45 38.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.56 173.88 43.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.568 HG11 ' HA ' ' A' ' 94' ' ' VAL . 72.1 t -112.23 143.89 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 111.14 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.86 -165.34 13.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -50.16 -46.49 54.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.753 0.311 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -93.32 134.71 35.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.7 ' HB ' HD22 ' A' ' 164' ' ' LEU . 14.2 m -66.05 -12.71 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 2.6 m80 -75.22 -23.77 57.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 77.2 p -85.92 156.47 20.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -149.41 113.74 5.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.538 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -125.87 142.58 51.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -138.91 141.37 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.9 mt -101.14 115.48 42.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.411 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER -107.42 158.3 17.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -93.63 104.65 16.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.7 p -87.25 -37.05 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -128.9 -155.68 8.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -67.86 -56.89 7.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.482 ' O ' ' CZ ' ' A' ' 108' ' ' PHE . 2.0 tt0 -115.23 -37.75 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.24 131.14 46.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 6.7 m-85 -128.05 149.6 50.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -115.44 139.34 50.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 48.6 t -114.79 115.87 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.51 ' CD2' HG11 ' A' ' 78' ' ' VAL . 95.4 m-70 -100.16 127.1 46.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.655 HG12 HD13 ' A' ' 23' ' ' LEU . 46.1 t -106.79 144.84 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 51.1 m-85 -145.91 136.75 24.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -87.4 112.93 22.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.83 ' HA ' HG12 ' A' ' 20' ' ' VAL . 52.4 m -86.06 166.25 16.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 30.7 mt-10 -153.51 129.47 5.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.661 0.743 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.541 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 54.1 Cg_endo -69.76 -49.23 0.24 Allowed 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.354 0.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.98 179.42 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.17 45.57 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.58 -49.91 6.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -72.93 -36.22 67.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 94.3 t -69.41 -56.69 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.2 m -60.63 -33.61 73.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.13 -46.77 73.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.704 ' HB1' HE22 ' A' ' 16' ' ' GLN . . . -59.87 -52.25 66.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.4 p -63.12 -46.7 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.501 ' N ' HG13 ' A' ' 126' ' ' VAL . 51.4 tt0 -55.22 -56.81 15.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 129' ' ' ALA . . . -61.74 -45.21 94.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.636 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -34.8 -43.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 72.7 m -52.24 -55.85 18.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 55.7 p -74.48 -57.25 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 124.05 -114.33 2.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 122.24 8.94 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.272 . . . . 0.0 112.368 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.8 t -77.62 -49.3 14.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.1 p -65.34 -52.2 55.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.83 -117.06 5.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 138' ' ' GLU . 79.2 mt -96.82 125.41 49.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 137' ' ' ILE . 17.2 mm-40 -37.58 101.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -76.02 -110.76 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -80.78 178.64 8.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -140.85 -84.92 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.5 m -63.01 -64.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.8 m 51.15 36.87 16.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 40.76 -133.63 2.75 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.1 t 40.19 47.37 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 147' ' ' GLY . 55.0 p -38.21 -49.57 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 146' ' ' SER . . . 37.54 62.0 0.99 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 t -74.16 -44.44 53.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.866 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.6 m -151.94 146.75 25.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 122.71 63.2 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 70.1 m -82.18 132.89 35.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 12.8 p -88.25 -51.65 5.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 150.66 -120.57 1.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -89.56 49.58 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -72.11 -3.24 22.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -168.46 105.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.2 p -44.52 135.2 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 8.8 t -66.42 141.65 97.28 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.586 0.708 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -0.78 7.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -82.74 -29.51 29.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -88.21 -53.56 4.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.4 ttm-85 -47.49 -45.02 25.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -52.75 -51.88 58.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.7 HD22 ' HB ' ' A' ' 94' ' ' VAL . 26.9 mt -48.04 -53.8 15.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 36.3 m -51.46 -48.48 62.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -54.64 -44.49 73.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 54.2 mmm -56.35 -35.18 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -83.21 -26.89 30.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -68.54 -72.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -109.73 -44.64 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 98.65 -149.06 19.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -138.77 124.46 19.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.903 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -108.18 118.7 37.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.591 ' ND2' ' CG2' ' A' ' 176' ' ' THR . 17.8 t30 -64.67 125.45 88.78 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.648 0.737 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.7 2.267 . . . . 0.0 112.392 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.591 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 2.6 t -38.26 -35.4 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -104.07 127.82 51.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -133.86 53.88 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -118.1 96.57 5.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -111.1 179.43 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -112.81 57.5 0.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -54.6 -15.7 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.92 95.82 3.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -103.66 149.92 24.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 34.5 t30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 t -107.83 -47.01 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m -59.09 129.9 44.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.92 124.39 0.75 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -121.95 -54.12 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.7 p -53.26 -51.27 62.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.24 75.53 0.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 101.72 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.697 2.265 . . . . 0.0 112.375 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.406 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 16.5 m -104.18 93.61 5.79 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 9' ' ' THR . 53.8 Cg_endo -69.77 85.68 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -38.4 154.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 t -136.42 143.43 43.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.04 171.79 9.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -55.22 104.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.635 HG23 ' HA ' ' A' ' 61' ' ' ALA . 14.2 p -111.89 146.53 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.568 ' HG2' ' CZ ' ' A' ' 18' ' ' PHE . 1.4 tt0 -102.88 137.89 40.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -119.06 131.64 55.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 16' ' ' GLN . 16.4 m-85 -108.41 161.21 15.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 tpp85 -96.24 110.06 22.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 115' ' ' CYS . 22.5 m -145.81 173.52 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -107.34 166.36 10.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -117.22 116.28 26.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.902 HD13 HG12 ' A' ' 112' ' ' VAL . 5.5 mp -81.97 -43.05 18.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.67 -167.54 29.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.509 ' O ' HD21 ' A' ' 44' ' ' LEU . 16.0 ttp -116.8 141.19 48.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.532 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -145.33 117.12 5.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.57 0.7 . . . . 0.0 110.915 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 138.33 37.55 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.3 m -109.09 147.44 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -78.32 -38.06 43.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -113.74 144.46 31.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.588 0.708 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -24.68 29.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.467 HG12 ' HB2' ' A' ' 87' ' ' PHE . 24.0 m -133.9 172.93 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.72 100.17 2.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.442 ' HA ' ' CE ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -45.72 -40.37 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.755 0.312 . . . . 0.0 110.851 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -54.66 -35.26 63.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.9 m -78.64 -45.17 22.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 98' ' ' ALA . 8.4 tt -56.94 -50.05 73.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.455 ' HA ' HD12 ' A' ' 41' ' ' ILE . 75.1 m-20 -58.65 -42.58 88.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.6 t -56.0 -15.61 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -92.68 -38.07 12.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 38' ' ' ASN . 51.8 mt -59.67 -61.83 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -51.33 -45.84 62.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.419 HD22 HD11 ' A' ' 26' ' ' LEU . 77.1 m-20 -43.98 -42.61 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.509 HD21 ' O ' ' A' ' 25' ' ' MET . 13.8 mt -82.17 -49.2 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 mtt -47.07 -31.83 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.3 p -79.0 -47.06 16.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.7 t -53.2 -55.63 22.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.7 m -111.52 164.54 12.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.1 m -96.75 166.25 11.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 30.7 tttm -56.5 -44.09 80.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.954 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -72.76 -24.66 60.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.31 -27.26 67.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.475 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 8.5 m0 -70.12 113.73 20.02 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.544 0.687 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 135.66 31.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.4 m -71.19 125.95 28.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.3 m -135.71 172.23 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -103.83 123.69 47.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.6 tpp -94.1 107.7 19.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -94.38 127.65 40.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.635 HG13 HG22 ' A' ' 65' ' ' VAL . 84.0 t -127.99 98.43 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.635 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -75.93 -178.47 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.627 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 18.5 t0 -43.7 -59.93 2.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.15 33.33 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' ALA . 27.7 m -145.71 150.39 36.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.635 HG22 HG13 ' A' ' 60' ' ' VAL . 86.4 t -134.73 99.95 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -101.82 141.99 33.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.452 HG12 ' HB2' ' A' ' 77' ' ' LEU . 74.2 t -108.91 103.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.158 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.9 mt -101.94 150.38 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.7 t -76.21 169.76 17.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -86.31 -43.66 12.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -60.97 -52.98 62.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -105.7 168.16 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -114.48 -35.13 5.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -77.45 -12.25 59.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -69.64 118.0 11.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.1 t -104.45 79.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.452 ' HB2' HG12 ' A' ' 67' ' ' VAL . 68.3 mt -45.84 -64.62 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.412 HG11 ' CD2' ' A' ' 111' ' ' HIS . 85.8 t -136.26 126.79 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -104.31 101.6 11.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.7 t -113.08 144.96 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -119.66 136.3 54.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.488 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 20.3 t -62.03 -20.29 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -75.21 -21.75 58.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 85' ' ' LEU . 30.6 m-85 -97.39 -39.92 8.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.4 tt -37.27 114.19 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.9 p -82.76 -45.67 14.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.467 ' HB2' HG12 ' A' ' 32' ' ' VAL . 64.1 t80 -156.25 149.08 23.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.411 ' HB3' HD21 ' A' ' 85' ' ' LEU . 14.8 ptp -134.73 158.32 44.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.22 -176.35 39.71 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.537 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.707 HG11 ' HA ' ' A' ' 94' ' ' VAL . 59.4 t -128.07 141.04 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 111.163 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.415 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . -68.14 -180.0 18.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.12 -31.43 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -104.46 118.21 36.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.707 ' HA ' HG11 ' A' ' 90' ' ' VAL . 2.4 m -51.68 -29.29 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -55.74 -33.57 64.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.411 ' O ' HG13 ' A' ' 90' ' ' VAL . 29.8 p -81.76 162.35 22.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -158.41 113.17 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.653 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -126.57 148.1 49.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.142 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -137.6 148.53 45.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.3 mt -103.7 124.59 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 16.7 ptm -121.04 164.19 17.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 102' ' ' ASP . 0.4 OUTLIER -109.27 111.35 22.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.6 p -98.79 -35.67 10.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.21 -124.65 4.77 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.439 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -108.55 -64.85 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.567 ' O ' ' CZ ' ' A' ' 108' ' ' PHE . 7.4 tp-100 -103.48 -39.9 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.03 132.65 47.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.567 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 5.9 m-85 -125.47 144.45 50.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -108.65 138.44 44.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.3 t -121.22 116.81 25.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.412 ' CD2' HG11 ' A' ' 78' ' ' VAL . 94.3 m-70 -94.8 148.5 22.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.902 HG12 HD13 ' A' ' 23' ' ' LEU . 41.7 t -124.66 135.89 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -139.38 136.03 34.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -85.51 112.86 21.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.581 ' HA ' HG12 ' A' ' 20' ' ' VAL . 83.9 m -84.15 159.67 21.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.5 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 52.9 mt-10 -145.81 128.63 8.12 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.601 0.715 . . . . 0.0 110.852 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 54.1 Cg_endo -69.75 -45.66 0.41 Allowed 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.325 -0.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -127.92 -179.23 4.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.99 51.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.074 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -83.01 -61.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -69.93 -57.67 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.9 t -42.23 -57.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.449 ' HA ' HG12 ' A' ' 126' ' ' VAL . 70.4 m -65.21 -25.0 67.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -76.3 -31.39 58.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.83 -43.98 28.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.54 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.0 p -65.02 -50.11 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.54 ' N ' HG13 ' A' ' 126' ' ' VAL . 8.3 pt20 -61.79 -39.57 92.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.78 -38.93 76.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.627 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -50.33 -38.77 43.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.421 ' SG ' ' CG1' ' A' ' 82' ' ' VAL . 84.1 m -59.07 -53.02 63.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 132' ' ' GLY . 1.1 t -100.28 37.3 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 131' ' ' SER . . . 34.45 -97.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.507 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 131' ' ' SER . 53.3 Cg_endo -69.77 147.66 63.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.6 m -111.05 171.92 7.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 34.5 t -54.66 140.83 34.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 109.17 93.37 2.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.46 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 43.3 mm -107.09 134.09 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 111.177 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -80.09 83.72 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -114.5 -165.93 15.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -49.03 163.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 164.63 84.15 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.447 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.3 m -99.49 168.71 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.1 m -153.54 173.74 15.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -168.46 47.69 0.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.5 p -115.99 166.1 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.909 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 28.4 t -59.87 -48.84 80.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 160.68 -130.12 2.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 24.4 m -157.62 172.62 18.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 0.0 110.818 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 69.3 p -143.21 175.56 9.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.824 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -115.47 136.52 13.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 55.6 p -172.49 168.77 5.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 52.7 p -46.18 142.89 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -163.67 177.35 39.57 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.443 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.17 153.3 42.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.97 146.02 51.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -126.55 92.2 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.74 130.94 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 14.5 t -57.79 141.41 80.12 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.602 0.715 . . . . 0.0 111.154 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 3.52 2.72 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.74 2.293 . . . . 0.0 112.366 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -82.56 -64.89 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -54.33 -45.57 72.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -47.47 -30.02 3.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . 0.482 ' CE1' ' OE1' ' A' ' 127' ' ' GLN . 3.0 t60 -79.59 -57.82 3.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.826 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 89.7 mt -42.5 -43.54 3.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 168' ' ' GLN . 11.4 m -62.14 -64.0 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 165' ' ' SER . 29.4 mtpt -38.3 -39.04 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 15.8 mmm -65.7 -41.52 92.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 165' ' ' SER . 44.6 mt-30 -78.6 -21.97 47.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -76.38 -75.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . 0.461 HD22 ' N ' ' A' ' 171' ' ' GLY . 0.2 OUTLIER -104.96 -32.0 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . 0.461 ' N ' HD22 ' A' ' 170' ' ' ASN . . . 90.76 -149.96 20.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -144.18 120.16 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.929 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -100.16 115.63 30.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 82' ' ' VAL . 50.4 t30 -64.3 120.48 65.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.628 0.728 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -45.22 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -39.81 21.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -124.84 101.99 7.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -123.34 52.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 180' ' ' PHE . 13.0 t80 -38.78 -62.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 179' ' ' PHE . 49.2 p90 -48.6 178.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -134.79 72.14 1.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -121.46 -39.3 2.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 2.2 mmt -126.7 141.68 51.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -112.44 149.1 33.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -120.61 169.33 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.845 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -123.55 -50.27 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.01 129.5 2.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.453 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 t -172.63 118.81 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -147.78 151.18 35.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.22 107.61 0.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 111.52 2.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.683 2.256 . . . . 0.0 112.316 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.1 p -130.72 85.35 55.94 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.622 0.725 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 107.5 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -114.53 114.8 26.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 m -62.47 95.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -99.32 153.0 19.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.544 HD13 ' N ' ' A' ' 15' ' ' VAL . 0.6 OUTLIER -94.52 121.99 36.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.544 ' N ' HD13 ' A' ' 14' ' ' LEU . 11.0 p -128.66 149.02 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -119.87 124.48 46.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -97.34 149.79 21.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -133.28 139.37 46.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -79.91 110.59 15.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -143.31 -176.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -117.35 165.07 13.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -113.59 117.3 31.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -83.55 -43.18 15.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.701 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 149.09 -178.55 26.56 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.1 ttp -116.74 125.24 51.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.547 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.9 OUTLIER -128.83 117.42 19.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.547 ' N ' HD13 ' A' ' 26' ' ' LEU . 54.0 Cg_endo -69.83 140.14 41.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 m -110.3 -176.79 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.6 -42.16 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 -103.94 143.02 25.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.59 0.71 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -23.64 30.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.318 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.38 169.48 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.21 104.79 2.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 7.5 mmt -51.56 -41.55 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.59 -29.5 11.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.9 m -88.61 -45.53 9.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.602 HD21 ' HB3' ' A' ' 98' ' ' ALA . 8.7 tt -57.29 -52.24 66.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.509 ' HA ' HD12 ' A' ' 41' ' ' ILE . 2.8 m-80 -59.0 -45.16 91.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.474 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 32.1 t -52.18 -20.06 2.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -87.55 -34.07 18.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 38' ' ' ASN . 51.6 mt -62.28 -56.49 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 46' ' ' THR . 13.1 mt-10 -52.25 -45.95 65.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 39' ' ' SER . 18.4 m-20 -44.26 -49.22 9.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.701 HD22 ' HA3' ' A' ' 24' ' ' GLY . 9.5 mt -76.05 -53.99 7.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.431 ' HE1' ' HZ3' ' A' ' 114' ' ' TRP . 3.1 mtt -41.89 -43.8 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 42' ' ' GLU . 68.8 p -73.06 -30.82 63.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 44' ' ' LEU . 2.8 t -68.54 -64.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.0 m -101.62 157.76 16.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.6 m -94.53 161.29 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.433 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 23.1 tttt -48.55 -45.44 37.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.9 -38.32 73.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -54.06 -35.71 62.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.433 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 11.3 m0 -62.19 113.39 8.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.499 0.666 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.54 40.48 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.734 2.289 . . . . 0.0 112.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.1 m -73.13 124.01 24.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.4 m -132.98 167.72 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -104.26 120.58 41.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.41 ' HE1' ' CD1' ' A' ' 113' ' ' PHE . 44.4 ttm -90.15 98.54 11.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -84.55 109.84 18.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.532 HG13 HG22 ' A' ' 65' ' ' VAL . 90.7 t -109.81 98.64 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.454 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -76.83 -176.99 4.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.86 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 12.5 t70 -49.89 -60.96 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.64 37.21 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.532 HG23 ' HG3' ' A' ' 81' ' ' ARG . 93.2 m -155.44 150.38 26.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.532 HG22 HG13 ' A' ' 60' ' ' VAL . 95.1 t -133.81 103.25 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.2 m -105.6 143.43 33.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.95 118.29 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.5 mt -112.54 147.54 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.7 t -81.59 118.83 23.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -38.71 -35.93 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -70.39 -65.55 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' HB3' ' CB ' ' A' ' 75' ' ' GLU . 49.2 t-20 -98.94 132.79 44.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -38.93 35.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -78.8 -0.48 30.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.439 ' CB ' ' HB3' ' A' ' 72' ' ' ASN . 19.2 tt0 -85.46 107.26 17.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.2 t -99.26 96.21 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 66.0 mt -62.84 -43.56 98.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.421 HG11 ' CE1' ' A' ' 111' ' ' HIS . 95.8 t -152.12 129.88 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.065 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -108.63 95.81 5.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 42.6 t -101.76 148.11 25.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.532 ' HG3' HG23 ' A' ' 64' ' ' THR . 0.4 OUTLIER -131.13 119.81 22.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.852 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.62 HG11 ' HA ' ' A' ' 130' ' ' CYS . 58.9 t -34.15 -59.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.456 ' HA ' HG21 ' A' ' 176' ' ' THR . 49.3 mtp85 -39.42 -49.78 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 85' ' ' LEU . 14.8 m-85 -70.01 -39.94 75.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.751 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.2 tt -37.72 116.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.7 p -81.83 -58.93 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -151.01 130.54 12.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.751 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.6 ptp -120.35 148.73 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.66 -170.4 29.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 96' ' ' THR . 79.5 t -128.56 143.75 40.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -72.11 -171.39 16.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -50.44 -43.5 55.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.4 122.58 38.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.538 ' HA ' HG11 ' A' ' 90' ' ' VAL . 12.1 m -55.19 -26.76 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -58.31 -23.31 56.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.556 ' O ' HG13 ' A' ' 90' ' ' VAL . 62.4 p -95.2 158.86 15.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -155.72 114.25 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.602 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -126.44 148.25 49.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 5.7 p90 -139.18 142.89 37.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.6 mt -100.65 125.82 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.3 ptm -123.05 168.93 11.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -105.99 113.1 26.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.5 p -107.73 43.14 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.18 -130.38 7.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.406 ' C ' ' N ' ' A' ' 107' ' ' ARG . 2.8 m-20 -55.19 -174.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.516 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -46.61 -20.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 105' ' ' ASN . 7.5 ptt85 -61.24 121.23 12.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.516 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 5.9 m-85 -119.45 139.63 51.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -106.4 137.21 44.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.9 t -112.28 110.78 21.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.421 ' CE1' HG11 ' A' ' 78' ' ' VAL . 39.0 m-70 -93.92 134.04 36.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.2 t -113.29 142.07 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.41 ' CD1' ' HE1' ' A' ' 58' ' ' MET . 18.1 m-85 -144.03 130.48 19.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.431 ' HZ3' ' HE1' ' A' ' 45' ' ' MET . 44.7 t-105 -80.24 124.26 28.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.552 ' SG ' HG21 ' A' ' 122' ' ' VAL . 90.9 m -99.44 159.4 15.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.466 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 30.0 mt-10 -146.65 126.21 6.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.667 0.746 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.3 Cg_endo -69.71 -48.02 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.753 -1.769 . . . . 0.0 112.341 -0.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.406 HD22 ' HB2' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -121.94 179.14 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.505 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -98.96 46.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.406 ' HB2' HD22 ' A' ' 118' ' ' ASN . . . -80.5 -57.05 3.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -66.67 -36.04 81.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.552 HG21 ' SG ' ' A' ' 115' ' ' CYS . 89.4 t -66.6 -44.33 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.8 p -77.94 -21.96 50.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -79.42 -42.73 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.89 -48.32 71.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 127' ' ' GLN . 11.0 p -65.71 -46.24 89.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.526 ' N ' HG13 ' A' ' 126' ' ' VAL . 33.1 tt0 -59.74 -49.93 75.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.72 -41.84 87.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.86 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -43.73 -43.16 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.62 ' HA ' HG11 ' A' ' 82' ' ' VAL . 77.9 m -44.8 -51.77 9.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 132' ' ' GLY . 1.1 t -100.9 40.87 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 131' ' ' SER . . . 33.51 -96.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.435 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.437 ' N ' ' O ' ' A' ' 131' ' ' SER . 53.7 Cg_endo -69.77 158.64 56.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.234 . . . . 0.0 112.388 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.7 m -142.15 155.17 45.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 22.1 m -152.99 115.41 4.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -156.44 144.84 11.25 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.3 mm -117.59 143.03 29.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 139' ' ' GLY . 1.2 pm0 -89.5 -34.52 16.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 138' ' ' GLU . . . 102.48 141.1 11.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.528 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -63.96 -61.74 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 178.98 170.52 41.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.514 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 53.1 p -122.97 -57.54 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.2 t 45.82 42.47 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -50.66 132.63 31.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 37.6 t -58.24 -52.42 65.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.928 0.395 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 87.3 p -72.28 110.77 6.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 143.87 138.74 3.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 23.1 t -105.36 101.65 11.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.363 . . . . 0.0 110.851 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.9 t -172.7 144.43 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 99.96 -75.44 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.54 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.7 p -50.87 -51.11 54.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 23.1 t -86.26 -56.29 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -108.09 127.32 8.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.535 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.08 125.32 47.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.811 0.339 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -162.02 144.49 11.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -172.67 113.37 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.423 ' CG2' ' CD ' ' A' ' 161' ' ' GLU . 8.7 p -88.43 139.13 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 5.7 t -65.35 142.72 98.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.582 0.706 . . . . 0.0 111.164 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 0.5 5.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.34 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -79.73 -52.08 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.423 ' CD ' ' CG2' ' A' ' 157' ' ' VAL . 13.7 pt-20 -70.71 -43.38 69.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -46.77 -53.13 12.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -59.27 -48.53 81.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.505 HD21 ' C ' ' A' ' 119' ' ' ALA . 8.3 mt -51.19 -43.59 61.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 32.2 m -52.47 -46.43 66.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -56.94 -43.62 81.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 87.3 mmm -58.12 -50.65 72.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -71.32 -13.0 61.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -82.11 -72.64 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -107.13 -23.58 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 72.84 -169.16 52.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -125.51 124.46 41.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.912 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -105.33 116.49 32.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.487 ' CG ' HG22 ' A' ' 176' ' ' THR . 25.2 t30 -58.67 118.8 31.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -37.21 9.62 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.363 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.487 HG22 ' CG ' ' A' ' 174' ' ' ASN . 10.7 t -56.2 -26.95 52.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -111.44 71.49 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -100.98 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -50.75 -44.44 58.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -70.51 164.8 24.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -106.03 55.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 183' ' ' MET . 13.3 pt20 -54.27 -41.73 69.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . 0.477 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 3.3 tpp -84.38 143.17 29.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -100.16 135.62 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -109.27 150.68 27.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.898 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -86.7 128.1 34.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.804 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.85 -115.08 3.88 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.5 p -129.9 111.32 12.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -162.83 165.98 24.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.72 -164.15 22.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 4.51 2.11 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.731 2.288 . . . . 0.0 112.369 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.5 t -140.13 141.13 25.57 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.568 0.699 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 176.52 6.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.231 . . . . 0.0 112.348 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -112.34 82.02 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 12' ' ' THR . 1.2 t -86.78 32.18 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -101.22 145.12 29.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.62 103.35 13.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.549 HG23 ' N ' ' A' ' 61' ' ' ALA . 13.1 p -108.68 141.63 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -96.43 139.88 31.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 149.14 32.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -132.44 136.92 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 tpp85 -75.08 114.01 13.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 m -146.45 172.15 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -110.6 159.19 17.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -110.17 110.27 21.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.994 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 5.4 mp -77.65 -41.84 36.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.09 -178.16 28.65 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.7 ttp -109.32 139.74 43.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.644 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -142.2 117.38 6.79 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 0.0 110.87 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.439 ' HD2' HD13 ' A' ' 26' ' ' LEU . 54.0 Cg_endo -69.78 155.13 66.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.236 . . . . 0.0 112.397 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 m -135.72 153.04 32.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -104.61 -9.93 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -115.64 135.75 22.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -30.06 22.95 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.228 . . . . 0.0 112.339 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.4 m -138.99 -175.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.06 105.63 2.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 67.1 mmm -52.25 -29.39 22.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.01 -33.85 76.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.0 m -82.92 -41.66 18.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' C ' HD23 ' A' ' 37' ' ' LEU . 9.9 tt -62.32 -43.78 98.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -72.88 -41.04 65.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 t -53.15 -20.8 4.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -87.24 -33.79 19.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.072 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mt -55.52 -64.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 44' ' ' LEU . 3.3 mm-40 -48.57 -57.98 5.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' GLU . 33.3 m-20 -35.39 -34.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' GLU . 22.8 mt -85.82 -54.55 4.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.4 mtp -46.19 -46.33 17.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 42' ' ' GLU . 8.8 t -63.94 -24.72 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 t -77.11 -52.04 9.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.0 m -121.09 144.16 48.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.5 m -75.31 170.77 15.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 68.8 tttt -59.23 -45.37 91.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -74.43 -22.0 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -71.08 -20.53 62.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.544 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.4 m0 -78.83 120.85 82.37 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 160.82 48.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.298 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.4 p -93.66 127.62 39.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.68 HG11 ' CD1' ' A' ' 77' ' ' LEU . 25.4 m -135.61 161.4 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -100.68 116.95 33.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 45.9 ttm -88.32 98.47 11.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -86.16 119.5 26.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.506 HG13 HG22 ' A' ' 65' ' ' VAL . 88.9 t -117.23 99.76 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.549 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -76.12 -176.85 3.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -40.4 -66.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.64 29.46 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 61' ' ' ALA . 9.9 m -139.41 148.54 42.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.506 HG22 HG13 ' A' ' 60' ' ' VAL . 77.5 t -129.56 102.2 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.475 ' CG2' HG13 ' A' ' 76' ' ' VAL . 1.6 m -108.56 135.69 49.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.501 HG12 ' HB2' ' A' ' 77' ' ' LEU . 90.5 t -103.62 112.82 38.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.7 mt -109.14 137.24 42.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.5 t -58.19 144.27 41.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -64.1 -32.18 73.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -70.22 -72.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.46 163.81 16.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 1.2 pm0 -114.29 14.03 17.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -127.65 -0.39 6.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -90.71 94.8 9.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.475 HG13 ' CG2' ' A' ' 66' ' ' THR . 40.4 t -76.2 90.07 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.68 ' CD1' HG11 ' A' ' 56' ' ' VAL . 62.5 mt -53.29 -50.88 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.8 t -145.26 129.5 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' O ' ' HE1' ' A' ' 101' ' ' MET . 17.8 tt0 -105.53 95.87 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 8.8 t -111.61 145.36 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.481 ' HD3' ' CE1' ' A' ' 84' ' ' PHE . 13.9 ttt180 -116.4 121.47 42.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.5 t -42.01 -39.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -68.19 -38.16 81.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.481 ' CE1' ' HD3' ' A' ' 81' ' ' ARG . 3.3 m-85 -74.42 -18.01 60.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.543 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.8 tt -59.32 114.3 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.4 t -77.18 -47.19 20.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.682 ' HB2' HG12 ' A' ' 32' ' ' VAL . 87.9 t80 -164.11 141.87 7.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.543 ' HB3' HD21 ' A' ' 85' ' ' LEU . 6.4 ptp -130.11 160.8 32.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.4 -175.78 39.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 91' ' ' GLY . 23.2 t -128.59 139.62 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.383 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.462 ' O ' HG12 ' A' ' 90' ' ' VAL . . . -64.64 -179.53 6.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -45.99 -38.47 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.747 0.308 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.94 156.12 17.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.655 HG12 ' HB3' ' A' ' 164' ' ' LEU . 35.4 m -90.39 7.81 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -96.03 -14.77 22.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 78.5 p -104.2 148.66 26.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.464 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 21.2 t80 -145.91 115.2 7.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -123.37 148.77 45.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 99' ' ' PHE . 3.5 p90 -139.09 150.77 46.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.3 mt -110.42 123.81 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.431 ' HE1' ' O ' ' A' ' 79' ' ' GLU . 7.2 ptm -112.94 161.49 16.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -102.58 104.65 15.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.6 p -96.24 -29.58 13.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -130.09 -157.73 9.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -73.16 -54.53 8.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.02 -37.59 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 107' ' ' ARG . 2.6 ptp180 -67.14 127.19 31.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -124.32 159.8 29.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -114.16 144.1 43.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.2 t -122.76 116.08 23.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -109.18 142.39 40.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.9 t -120.02 146.0 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -144.96 129.71 18.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -81.53 116.26 21.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.466 ' SG ' HG21 ' A' ' 122' ' ' VAL . 61.4 m -96.0 146.98 24.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.502 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.8 mm-40 -129.44 127.98 23.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.578 0.704 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.7 Cg_endo -69.74 -47.96 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.354 -0.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.35 176.36 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -93.89 40.22 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.685 ' HB2' HD21 ' A' ' 164' ' ' LEU . . . -79.86 -54.61 5.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.097 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -72.99 -18.82 61.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.466 HG21 ' SG ' ' A' ' 115' ' ' CYS . 39.7 t -81.87 -45.09 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.416 ' HA ' HG12 ' A' ' 126' ' ' VAL . 1.9 m -72.92 -32.18 65.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 5.7 pt-20 -65.24 -43.09 92.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 124' ' ' GLU . . . -63.45 -47.28 82.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 123' ' ' SER . 7.5 p -71.65 -37.4 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -59.03 -49.22 78.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.81 -37.62 76.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -45.41 -36.08 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.061 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 72.9 m -51.85 -43.65 63.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.7 m -120.6 47.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.59 -160.08 33.53 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.54 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.59 37.71 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.307 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 21.5 m -128.72 166.2 19.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.0 t -125.16 152.05 44.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 167.88 -167.91 40.38 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 4.9 mm -100.13 122.49 52.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.755 0.312 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -113.23 177.92 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -133.59 89.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -102.38 61.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -114.41 125.75 6.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.5 t -98.75 138.31 36.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.892 0.377 . . . . 0.0 110.815 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 68.3 m -122.98 146.87 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -134.06 131.86 6.16 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.9 p -173.47 142.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 30.5 p -139.38 112.59 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 138.57 97.63 0.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 46.3 m -156.58 120.97 4.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.91 0.386 . . . . 0.0 110.817 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.0 m -69.57 -54.13 15.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 170.7 96.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 18.3 t -119.17 104.65 10.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 59.3 m -146.0 134.14 21.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.89 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 154' ' ' ASP . . . 164.54 -69.57 0.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.47 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 153' ' ' GLY . 46.5 m-20 -35.77 133.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -102.62 136.42 42.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -159.82 108.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 15.3 t -64.68 115.39 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.557 HG23 ' H ' ' A' ' 161' ' ' GLU . 14.9 t -63.34 141.04 97.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.621 0.724 . . . . 0.0 111.133 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 3.4 2.8 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -89.43 -42.58 11.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.557 ' H ' HG23 ' A' ' 158' ' ' THR . 10.2 mm-40 -65.06 -46.66 80.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 34.6 ptt85 -41.41 -34.63 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -76.29 -55.52 5.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -42.32 -54.75 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.963 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 169' ' ' GLN . 80.5 p -39.55 -58.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.04 -42.41 18.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 47.2 mmm -65.26 -47.01 78.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -82.41 -4.73 57.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 165' ' ' SER . 21.3 mt-30 -94.51 -68.85 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . 0.64 HD22 ' N ' ' A' ' 171' ' ' GLY . 0.4 OUTLIER -107.93 -29.78 8.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . 0.64 ' N ' HD22 ' A' ' 170' ' ' ASN . . . 84.62 -158.15 33.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.464 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.44 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 32.9 t80 -139.62 126.94 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -105.78 120.02 40.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -67.61 118.19 54.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.66 0.743 . . . . 0.0 110.828 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.79 10.13 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.622 2.215 . . . . 0.0 112.387 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 177' ' ' TYR . 2.7 t -48.87 -39.74 26.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . 0.405 ' N ' ' CG2' ' A' ' 176' ' ' THR . 0.5 OUTLIER -103.55 60.33 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 16.8 tttm -108.55 104.95 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -128.9 101.34 6.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -120.02 -178.96 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -132.79 63.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -115.85 75.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 12.1 mtm -119.32 105.8 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -102.95 162.56 12.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 4.5 m120 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -100.52 162.36 12.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.383 . . . . 0.0 110.829 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 m -151.42 118.9 6.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.75 -40.76 0.67 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 t -46.68 98.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 m -139.43 137.57 35.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . -161.25 93.71 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 9' ' ' THR . 53.4 Cg_endo -69.81 134.77 28.66 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 8' ' ' PRO . 8.6 m -35.76 129.36 0.59 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.594 0.712 . . . . 0.0 111.117 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 115.21 3.99 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -132.39 150.38 52.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.0 p -113.15 94.51 4.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -105.12 151.22 24.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.11 110.95 2.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 61' ' ' ALA . 7.7 p -121.53 142.36 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -112.41 128.17 56.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -99.71 148.72 24.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -132.12 141.84 49.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' NH1' ' OE2' ' A' ' 116' ' ' GLU . 3.8 tmm_? -79.38 114.74 18.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.615 HG12 ' HA ' ' A' ' 115' ' ' CYS . 34.6 m -150.66 178.28 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -116.77 164.88 13.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -116.7 116.4 27.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.074 HD13 HG12 ' A' ' 112' ' ' VAL . 5.3 mp -80.89 -36.18 31.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.37 -172.43 24.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.449 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.471 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 15.0 ttp -115.48 138.72 50.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.799 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -141.13 121.6 8.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 110.954 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.557 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.9 Cg_endo -69.69 141.56 45.87 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.388 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.527 ' HB ' HG22 ' A' ' 36' ' ' THR . 34.4 m -115.95 158.93 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -88.71 -41.48 12.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.516 ' H ' HG21 ' A' ' 36' ' ' THR . 75.2 mtt180 -115.33 145.09 33.55 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -36.14 11.26 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.468 HG12 ' HB2' ' A' ' 87' ' ' PHE . 30.7 m -118.6 153.69 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.63 101.78 1.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.496 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 2.4 mmt -44.2 -40.19 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -54.23 -37.22 64.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.527 HG22 ' HB ' ' A' ' 28' ' ' VAL . 25.2 m -79.24 -43.99 22.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.951 HD21 ' HB3' ' A' ' 98' ' ' ALA . 10.3 tt -59.97 -58.32 9.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 34' ' ' MET . 63.6 m-80 -56.81 -47.66 79.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.9 t -39.36 -27.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.799 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -82.47 -41.52 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 38' ' ' ASN . 75.7 mt -46.36 -60.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -55.8 -51.66 66.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -41.71 -38.22 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mt -83.24 -54.35 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.7 mtt -46.79 -35.35 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 p -66.17 -53.28 39.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.8 t -63.56 -63.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 p -95.88 142.8 27.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -96.58 164.9 12.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 34.1 tttm -41.79 -47.37 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -70.27 -33.09 71.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.24 -29.47 67.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 2.4 m0 -77.03 114.36 38.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.621 0.724 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 160.83 48.25 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.645 2.23 . . . . 0.0 112.324 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.1 m -91.42 122.79 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.662 HG11 HD11 ' A' ' 77' ' ' LEU . 31.4 m -136.64 165.53 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -101.35 125.06 47.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.419 ' HB2' ' HE2' ' A' ' 58' ' ' MET . 27.3 ttm -90.67 101.56 14.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.444 ' ND2' HD12 ' A' ' 68' ' ' ILE . 4.6 m-80 -85.66 106.14 16.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.509 HG13 HG22 ' A' ' 65' ' ' VAL . 94.8 t -106.94 100.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.507 ' HB3' ' HB ' ' A' ' 64' ' ' THR . . . -79.8 177.79 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.412 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 5.7 t70 -47.69 -58.27 4.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.09 40.89 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.507 ' HB ' ' HB3' ' A' ' 61' ' ' ALA . 88.3 m -158.1 149.14 20.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.509 HG22 HG13 ' A' ' 60' ' ' VAL . 98.3 t -134.43 98.92 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.9 m -105.81 151.15 24.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.606 HG12 HD12 ' A' ' 77' ' ' LEU . 86.0 t -114.24 116.32 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.444 HD12 ' ND2' ' A' ' 59' ' ' ASN . 79.4 mt -114.97 148.33 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -71.42 168.8 16.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -84.8 -40.12 17.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 72' ' ' ASN . 0.1 OUTLIER -71.16 -44.88 64.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.469 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 59.9 m-20 -106.35 165.65 11.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -112.53 -39.98 4.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -72.28 -34.56 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -48.74 105.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 76' ' ' VAL . 1.1 p -98.86 84.51 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.662 HD11 HG11 ' A' ' 56' ' ' VAL . 71.6 mt -47.52 -56.43 7.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 111' ' ' HIS . 78.7 t -141.63 132.53 26.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -113.56 96.4 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.0 t -107.8 145.0 34.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 82' ' ' VAL . 1.1 mpt_? -118.37 127.69 53.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.602 HG11 ' HA ' ' A' ' 130' ' ' CYS . 89.4 t -36.71 -48.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -49.8 -46.12 50.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 81' ' ' ARG . 11.4 m-85 -67.75 -34.41 76.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.4 tt -47.7 112.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.3 p -86.69 -38.94 16.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.468 ' HB2' HG12 ' A' ' 32' ' ' VAL . 66.0 t80 -166.74 136.44 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.606 ' HB3' HD21 ' A' ' 85' ' ' LEU . 8.2 ptp -125.68 150.26 47.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -163.82 -171.87 30.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.575 HG11 ' HA ' ' A' ' 94' ' ' VAL . 71.9 t -126.7 143.67 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.147 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -77.32 177.86 52.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -37.54 -47.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.73 0.3 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -91.82 122.35 34.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.815 ' HB ' HD22 ' A' ' 164' ' ' LEU . 16.1 m -55.05 -21.41 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 2.4 m80 -67.19 -24.83 65.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.571 ' O ' HG13 ' A' ' 90' ' ' VAL . 59.0 p -87.63 152.47 22.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -145.02 115.42 7.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.951 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -125.93 150.18 48.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -151.4 140.41 21.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.606 ' CD1' HD12 ' A' ' 37' ' ' LEU . 5.0 mp -96.37 130.81 44.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 24.6 ptm -118.87 148.39 42.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.03 109.69 21.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 80.0 p -86.15 -14.48 43.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 105' ' ' ASN . . . 158.19 -100.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 104' ' ' GLY . 2.2 m120 -51.99 -172.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -70.1 4.43 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -93.81 99.19 11.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -105.23 145.17 31.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -107.32 149.08 28.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 41.9 t -121.79 110.88 16.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.493 ' CE1' HG21 ' A' ' 78' ' ' VAL . 84.0 m-70 -91.83 133.6 35.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 1.074 HG12 HD13 ' A' ' 23' ' ' LEU . 66.6 t -113.16 135.36 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 15.7 m-85 -136.44 133.95 37.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.418 ' CE3' HG22 ' A' ' 96' ' ' THR . 51.2 t-105 -87.33 122.83 31.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.615 ' HA ' HG12 ' A' ' 20' ' ' VAL . 81.8 m -98.61 161.99 13.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 44.0 mt-10 -146.21 129.11 8.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 110.879 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.581 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 53.9 Cg_endo -69.79 -49.08 0.24 Allowed 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.338 0.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.409 ' HB2' HD11 ' A' ' 164' ' ' LEU . 0.2 OUTLIER -117.16 -178.61 3.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.56 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -101.97 38.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.6 -57.1 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.26 -48.58 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.45 -64.45 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.1 m -50.41 -38.43 42.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.38 -43.12 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.6 -47.59 83.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.577 HG13 ' N ' ' A' ' 127' ' ' GLN . 11.8 p -67.78 -49.01 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.577 ' N ' HG13 ' A' ' 126' ' ' VAL . 35.3 tt0 -51.51 -48.47 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 129' ' ' ALA . . . -68.36 -42.14 79.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -38.03 -45.61 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.602 ' HA ' HG11 ' A' ' 82' ' ' VAL . 65.8 m -49.86 -51.2 42.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.5 t -113.04 36.25 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.82 150.88 2.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 134' ' ' SER . 52.9 Cg_endo -69.83 1.81 4.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.624 2.216 . . . . 0.0 112.35 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 133' ' ' PRO . 30.2 t -35.51 -48.54 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 87.1 p -78.02 89.92 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -103.06 -104.18 2.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.533 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 75.4 mt -117.66 144.76 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 0.0 111.188 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -89.52 177.13 6.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -136.32 95.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 140' ' ' ARG . 0.3 OUTLIER -61.55 -63.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.867 -179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 95.7 93.54 1.76 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.5 m -39.96 146.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 77.7 p -102.82 -52.11 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 123.32 -178.99 16.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.8 m -78.33 151.15 33.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 46.6 p -102.14 -53.29 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -156.66 -165.55 14.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 149' ' ' SER . 4.2 m -83.02 165.66 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.36 . . . . 0.0 110.869 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 148' ' ' SER . 11.5 m 35.24 42.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 151' ' ' SER . . . -83.11 -164.79 36.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 150' ' ' GLY . 35.3 m -35.1 121.89 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.7 m -104.52 -47.41 4.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -94.32 48.77 2.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -39.06 154.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -144.4 135.65 25.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -169.67 113.15 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 158' ' ' THR . 14.7 p -84.52 155.88 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.656 HG23 ' HG3' ' A' ' 161' ' ' GLU . 0.5 OUTLIER -76.38 146.05 77.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 111.153 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -23.37 31.08 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.453 ' O ' HD12 ' A' ' 164' ' ' LEU . 7.1 pt-20 -60.26 -40.53 90.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.656 ' HG3' HG23 ' A' ' 158' ' ' THR . 15.0 mt-10 -71.53 -59.53 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 161' ' ' GLU . 26.1 ttt180 -35.77 -54.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -62.27 -59.06 5.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.815 HD22 ' HB ' ' A' ' 94' ' ' VAL . 8.4 mt -39.58 -55.78 1.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.418 ' O ' ' CG ' ' A' ' 168' ' ' GLN . 1.8 m -53.41 -51.32 62.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -49.02 -44.15 41.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.403 ' SD ' ' NE2' ' A' ' 127' ' ' GLN . 87.2 mmm -53.91 -53.86 46.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 165' ' ' SER . 3.4 pt20 -67.69 -23.97 65.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -70.15 -68.18 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -114.63 -27.59 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 70.74 -172.71 42.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -123.99 133.45 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.939 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -110.34 118.61 36.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.441 ' ND2' ' CG2' ' A' ' 176' ' ' THR . 14.7 t30 -39.46 119.02 1.26 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.648 0.737 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -9.0 25.04 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.441 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 10.2 t -98.93 -27.97 13.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -111.38 82.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.18 128.77 32.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.432 ' O ' ' CG ' ' A' ' 179' ' ' PHE . 59.3 t80 -131.96 52.25 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -174.67 4.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -117.79 18.05 14.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 183' ' ' MET . 23.3 mm-40 -60.29 -50.13 74.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . 0.452 ' C ' ' O ' ' A' ' 182' ' ' GLN . 32.2 mtm -34.07 133.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -84.25 148.54 26.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 25.7 p30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.926 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -78.67 149.6 32.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.853 0.359 . . . . 0.0 110.856 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 t -106.37 -53.52 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.54 150.44 6.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 t -117.31 118.57 32.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 p -111.87 131.39 55.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.37 172.43 18.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 131.96 22.31 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.417 ' HA ' ' HD2' ' A' ' 10' ' ' PRO . 33.8 p -47.68 108.81 0.96 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.602 0.715 . . . . 0.0 111.149 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 9' ' ' THR . 53.2 Cg_endo -69.8 111.11 2.73 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.295 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -76.27 162.23 28.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -91.3 93.3 9.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -98.61 144.88 27.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -75.14 99.48 3.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.805 HG22 ' HB2' ' A' ' 61' ' ' ALA . 85.0 t -118.25 141.15 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -106.02 113.25 26.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -83.6 124.67 31.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -115.96 134.01 55.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -78.34 106.6 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.4 m -140.31 173.42 10.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -114.18 152.95 30.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -101.13 106.86 18.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.863 HD13 HG12 ' A' ' 112' ' ' VAL . 5.9 mp -75.22 -55.31 5.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.627 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 160.53 -177.04 37.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.569 ' O ' HD21 ' A' ' 44' ' ' LEU . 26.9 ttp -107.67 149.42 28.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.557 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.5 OUTLIER -157.68 117.3 1.93 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 0.0 110.948 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 142.02 46.69 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.665 2.244 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.4 m -116.1 144.76 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -63.67 -45.17 91.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -121.61 151.7 57.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.553 ' HB3' ' CD2' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.8 -39.22 6.7 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.667 2.244 . . . . 0.0 112.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.2 m -103.18 -175.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.13 103.93 0.84 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.447 ' HA ' ' CE ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -53.24 -52.54 58.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.854 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -44.02 -35.42 2.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.6 m -78.12 -39.96 39.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.8 tt -64.1 -55.62 20.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -53.34 -34.84 59.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 t -58.26 -19.71 36.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.557 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -88.27 -35.18 17.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.07 -62.86 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -48.12 -51.09 26.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -39.9 -54.64 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.627 HD22 ' HA3' ' A' ' 24' ' ' GLY . 6.3 mt -68.78 -60.18 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.477 ' HE2' HD21 ' A' ' 23' ' ' LEU . 6.2 mtt -38.34 -40.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.7 p -73.66 -37.38 65.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' LEU . 67.0 m -66.85 -58.26 5.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.6 m -103.18 169.55 8.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.496 ' O ' ' NE1' ' A' ' 53' ' ' TRP . 13.4 p -98.59 159.02 15.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 19.1 tttt -62.63 -18.34 62.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -92.27 -31.86 15.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.86 -34.55 76.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.523 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 2.1 m0 -61.7 112.24 5.77 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.524 0.678 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 136.81 33.91 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.724 2.282 . . . . 0.0 112.322 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 m -72.98 111.04 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.1 m -115.89 168.71 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -98.99 124.48 43.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.402 ' HE1' ' CD2' ' A' ' 113' ' ' PHE . 55.8 ttm -92.69 101.59 14.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.545 ' HB3' HG11 ' A' ' 15' ' ' VAL . 19.6 m-80 -76.24 100.52 5.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.2 t -102.47 98.18 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.805 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -93.92 173.08 7.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.557 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 31.0 t0 -39.51 -70.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.436 ' O ' HG22 ' A' ' 82' ' ' VAL . . . -120.5 42.92 2.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -158.28 149.82 21.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.143 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.3 t -140.23 106.2 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.0 m -110.95 145.67 37.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.756 HG12 HD12 ' A' ' 77' ' ' LEU . 53.0 t -110.68 105.42 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 69' ' ' SER . 83.0 mt -104.27 153.26 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 68' ' ' ILE . 8.3 t -76.27 160.88 29.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -72.79 -37.17 67.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -85.59 -57.67 2.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -81.14 141.93 33.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -100.73 -37.22 8.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -82.22 -12.62 57.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -67.91 97.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 76' ' ' VAL . 94.6 t -86.63 76.24 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.756 HD12 HG12 ' A' ' 67' ' ' VAL . 33.5 mt -42.73 -72.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.7 t -127.82 129.39 69.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -104.46 97.79 7.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.724 ' HA ' ' HE3' ' A' ' 101' ' ' MET . 38.9 t -105.55 148.14 27.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 82' ' ' VAL . 58.4 mtt180 -140.95 124.51 16.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.495 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 2.3 m -34.12 -45.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.2 mtm-85 -45.94 -48.96 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 81' ' ' ARG . 33.3 m-85 -75.44 -32.03 60.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.9 tt -47.48 100.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.9 p -78.12 -47.0 19.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.815 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -158.19 141.0 14.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.609 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.4 ptp -129.24 153.24 47.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.42 -170.41 26.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.9 t -134.34 146.23 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 92' ' ' LYS . . . -85.87 164.09 37.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 91' ' ' GLY . 7.0 mtpm? -34.89 -43.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -81.82 108.75 15.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.9 m -55.76 -16.43 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 9.1 m80 -84.68 27.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.545 HG22 ' CE3' ' A' ' 114' ' ' TRP . 31.1 p -136.33 164.24 28.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -156.42 116.1 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.663 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -129.61 136.0 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -132.38 145.15 51.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.447 HG21 ' HA ' ' A' ' 31' ' ' PRO . 68.6 mt -100.93 119.35 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.724 ' HE3' ' HA ' ' A' ' 80' ' ' CYS . 24.0 ptm -118.45 155.76 30.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -94.12 104.11 16.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.463 HG23 ' HG3' ' A' ' 101' ' ' MET . 70.4 p -106.98 43.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 139.8 -139.83 10.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 107' ' ' ARG . 16.2 m-80 -62.32 -174.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -41.97 -24.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 105' ' ' ASN . 52.9 mtt180 -64.3 100.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 31' ' ' PRO . 7.2 m-85 -101.31 143.18 31.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -105.3 157.21 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.4 t -124.38 111.6 15.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -92.52 130.87 38.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.863 HG12 HD13 ' A' ' 23' ' ' LEU . 40.8 t -109.15 139.38 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.402 ' CD2' ' HE1' ' A' ' 58' ' ' MET . 90.9 m-85 -143.6 119.99 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.545 ' CE3' HG22 ' A' ' 96' ' ' THR . 34.8 t-105 -74.56 125.05 27.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.402 ' C ' ' HG2' ' A' ' 116' ' ' GLU . 79.9 m -100.96 161.67 13.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.484 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.3 mm-40 -146.29 127.67 7.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.739 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.9 Cg_endo -69.75 -50.77 0.17 OUTLIER 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.366 -0.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.59 -176.4 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -103.11 42.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.15 -48.8 19.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 124' ' ' GLU . 4.8 m120 -76.21 -61.09 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 121' ' ' ASN . 99.0 t -36.86 -51.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.3 m -65.78 -39.41 90.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 121' ' ' ASN . 26.2 tt0 -60.03 -42.02 93.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.59 -54.27 42.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 127' ' ' GLN . 6.7 p -62.13 -42.69 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.457 ' NE2' ' CG ' ' A' ' 172' ' ' TYR . 0.7 OUTLIER -48.49 -54.84 12.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.59 -38.63 77.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -45.92 -39.62 9.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 75.5 m -54.06 -41.75 68.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.6 t -120.09 42.85 2.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -114.74 83.64 0.34 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 75.2 m -145.64 159.74 42.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 13.2 m -106.22 173.87 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 103.06 -52.26 0.8 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.71 110.29 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.771 0.32 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -149.09 137.63 21.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -58.71 101.59 0.22 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.457 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -96.97 154.18 17.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -119.93 134.92 10.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 83.0 p -120.23 112.6 19.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 44.6 p -172.29 134.96 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -78.25 -169.51 34.89 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t -142.84 138.73 30.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.827 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.6 t -122.55 146.84 47.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 40.14 73.37 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 70.3 m -52.96 -56.43 16.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.9 t -155.96 142.69 18.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 177.12 42.62 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.0 m -145.23 175.26 10.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.842 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 63.3 m -96.0 130.62 42.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 84.63 62.91 1.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -113.6 135.55 53.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -167.15 158.0 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -172.63 112.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 157' ' ' VAL . 8.4 p -48.88 125.93 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 15.1 t -60.17 139.11 91.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.713 . . . . 0.0 111.105 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 7.77 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.635 2.223 . . . . 0.0 112.356 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 164' ' ' LEU . 47.9 mm-40 -87.89 -41.75 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.71 -41.11 27.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -48.24 -49.2 34.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -65.29 -47.61 76.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 160' ' ' GLU . 7.1 mt -54.03 -46.98 72.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.479 ' HA ' ' CG ' ' A' ' 168' ' ' GLN . 13.4 t -55.09 -56.49 19.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -42.09 -33.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 9.8 mtp -73.09 -53.14 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.479 ' CG ' ' HA ' ' A' ' 165' ' ' SER . 2.7 pt20 -70.4 -12.69 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -85.37 -72.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.55 -41.86 5.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 100.64 -168.33 20.53 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.457 ' CG ' ' NE2' ' A' ' 127' ' ' GLN . 62.8 t80 -139.45 120.37 14.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.959 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -98.9 117.9 34.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.687 ' CG ' HG22 ' A' ' 176' ' ' THR . 46.1 t-20 -48.17 125.11 11.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.55 0.69 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -5.77 17.02 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.31 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.687 HG22 ' CG ' ' A' ' 174' ' ' ASN . 2.4 t -97.76 -25.02 15.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -93.8 89.55 6.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 180' ' ' PHE . 2.5 mtpp -117.1 -67.72 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 54.9 t80 41.27 53.5 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 178' ' ' LYS . 0.5 OUTLIER -105.26 -174.44 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -123.53 63.0 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -107.39 -54.05 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 34.1 mtm -58.91 173.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -69.84 174.96 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -90.42 42.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 0.0 110.807 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -55.77 -53.08 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.52 123.31 1.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 p -119.88 -50.01 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.811 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -160.19 140.37 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.44 145.06 9.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 169.1 19.63 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.385 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.6 p -95.93 132.23 27.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.565 0.698 . . . . 0.0 111.169 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 164.33 34.95 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -146.5 138.78 25.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.6 m -153.61 135.01 14.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 14' ' ' LEU . 56.7 mt-10 -113.78 176.19 5.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -36.04 104.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 61' ' ' ALA . 11.0 p -126.21 133.48 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -96.66 149.66 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 146.66 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -134.61 147.92 50.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -87.71 110.9 20.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' ' 115' ' ' CYS . 33.4 m -142.92 -179.26 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -119.53 159.05 25.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -105.92 107.17 18.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.541 HD23 ' HG2' ' A' ' 45' ' ' MET . 5.4 mp -76.06 -35.98 59.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.614 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 142.11 -171.19 24.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -120.28 139.44 52.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.779 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -144.96 118.27 5.5 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 110.908 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.445 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.6 Cg_endo -69.81 146.08 58.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.09 159.67 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -90.57 -33.78 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -117.33 145.23 35.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.628 0.727 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.454 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.76 -31.69 20.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.482 HG12 ' HB2' ' A' ' 87' ' ' PHE . 18.3 m -130.54 151.56 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.82 94.42 0.34 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.578 ' CE ' HD22 ' A' ' 37' ' ' LEU . 1.4 mmt -44.16 -38.06 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -57.36 -40.11 77.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.412 ' O ' ' CB ' ' A' ' 39' ' ' SER . 60.0 m -74.14 -46.83 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.578 HD22 ' CE ' ' A' ' 34' ' ' MET . 4.8 tp -43.56 -63.79 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.51 ' HA ' HD12 ' A' ' 41' ' ' ILE . 12.1 m-80 -57.88 -21.65 44.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 36' ' ' THR . 1.9 t -65.41 -29.26 69.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.779 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -87.86 -32.01 19.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 38' ' ' ASN . 89.4 mt -59.23 -61.42 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' ASN . 10.5 mt-10 -49.3 -55.65 12.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' GLU . 40.9 m-20 -35.3 -51.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.614 HD22 ' HA3' ' A' ' 24' ' ' GLY . 6.4 mt -71.93 -59.3 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.571 ' HE1' HG21 ' A' ' 96' ' ' THR . 15.5 mtt -38.66 -38.09 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.6 p -74.46 -46.24 41.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 m -60.49 -54.39 46.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -108.22 146.99 32.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.573 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 28.0 m -88.28 167.3 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.812 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HA ' ' CD2' ' A' ' 53' ' ' TRP . 44.6 tttm -53.41 -44.41 68.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -71.21 -32.97 69.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.28 -34.38 72.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.573 ' CD1' ' O ' ' A' ' 49' ' ' SER . 4.7 m0 -64.42 112.65 8.2 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.55 0.69 . . . . 0.0 110.934 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 131.8 22.04 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.637 2.225 . . . . 0.0 112.401 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.1 m -68.1 124.79 24.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 m -136.34 168.19 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.55 126.77 51.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 40.0 ttm -94.2 108.88 20.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.715 ' ND2' HD12 ' A' ' 68' ' ' ILE . 4.6 m-80 -92.99 114.16 26.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.574 HG13 HG22 ' A' ' 65' ' ' VAL . 89.8 t -114.37 98.82 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -75.32 179.78 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -43.81 -60.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.58 37.15 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.731 HG23 ' HG3' ' A' ' 81' ' ' ARG . 5.4 m -150.29 151.07 32.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.574 HG22 HG13 ' A' ' 60' ' ' VAL . 74.9 t -132.7 96.75 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.8 m -100.67 144.88 29.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.554 HG12 HD12 ' A' ' 77' ' ' LEU . 54.9 t -108.92 119.09 57.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.715 HD12 ' ND2' ' A' ' 59' ' ' ASN . 46.6 mt -119.47 147.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.489 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 2.2 t -73.05 173.26 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.15 -38.87 21.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -68.4 -75.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.681 ' ND2' ' H ' ' A' ' 72' ' ' ASN . 0.1 OUTLIER -88.62 136.93 32.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -88.95 -16.11 32.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -87.21 -12.54 46.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.51 ' OE2' HD23 ' A' ' 77' ' ' LEU . 27.8 tp10 -72.48 116.1 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.8 t -105.59 83.57 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.554 HD12 HG12 ' A' ' 67' ' ' VAL . 47.5 mt -50.97 -53.51 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 94.4 t -143.04 135.6 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -116.35 96.79 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 38.9 t -108.89 147.08 32.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.731 ' HG3' HG23 ' A' ' 64' ' ' THR . 2.1 mpt_? -118.34 123.89 46.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.818 HG21 ' HB1' ' A' ' 129' ' ' ALA . 74.6 t -34.82 -49.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.463 ' HA ' HG21 ' A' ' 176' ' ' THR . 2.9 mmp_? -52.1 -46.46 65.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' ARG . 4.7 m-85 -66.48 -29.95 70.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.738 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.5 tt -51.04 115.16 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -85.61 -50.2 7.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 87' ' ' PHE . 2.7 t80 -148.75 142.28 25.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.738 ' HB3' HD21 ' A' ' 85' ' ' LEU . 8.2 ptp -138.36 145.31 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.54 -162.97 17.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 96' ' ' THR . 92.6 t -131.91 144.92 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.338 . . . . 0.0 111.166 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.81 -169.55 23.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -45.46 -47.88 13.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -94.32 139.7 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.589 ' HA ' HG11 ' A' ' 90' ' ' VAL . 9.2 m -70.81 -11.57 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 7.3 m80 -77.34 -11.81 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.602 ' O ' HG13 ' A' ' 90' ' ' VAL . 73.3 p -100.52 150.73 22.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -143.68 118.61 9.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -133.87 141.3 47.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 99' ' ' PHE . 12.8 p90 -136.16 144.21 44.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.8 mt -105.13 117.75 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.3 ptm -109.09 165.04 11.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -107.74 108.62 19.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.5 p -94.94 11.44 31.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -171.46 -132.2 1.45 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.444 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -92.28 -61.71 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.734 0.302 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.524 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 2.4 tt0 -113.53 -37.5 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.455 ' O ' ' CG ' ' A' ' 107' ' ' ARG . 8.9 ptm180 -60.52 116.71 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.818 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 4.1 m-85 -120.77 146.15 46.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -111.81 136.42 51.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 32.3 t -112.79 109.23 18.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -95.5 140.7 29.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.5 t -119.42 148.06 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -151.25 128.98 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.422 ' CE3' HG22 ' A' ' 96' ' ' THR . 49.9 t-105 -80.08 119.3 22.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.689 ' HA ' HG12 ' A' ' 20' ' ' VAL . 13.6 m -92.53 165.73 12.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 21.9 mt-10 -151.62 128.65 5.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.646 0.736 . . . . 0.0 110.933 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.562 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 54.4 Cg_endo -69.72 -47.93 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.376 0.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.73 179.76 4.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.453 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -100.77 46.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.25 -62.25 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -58.86 -51.98 67.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 69.4 t -50.88 -52.19 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.0 m -65.36 -33.01 74.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -68.48 -38.93 81.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.18 73.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 127' ' ' GLN . 7.5 p -70.63 -41.95 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.433 ' N ' HG13 ' A' ' 126' ' ' VAL . 8.3 tt0 -54.33 -50.87 66.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.71 -41.16 88.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.818 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -40.28 -36.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 74.6 m -49.92 -50.78 45.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 65.3 p -92.51 -50.75 5.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.15 -112.37 4.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.91 67.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 73.8 m -78.0 143.65 37.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 44.7 m -129.03 146.33 51.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.84 170.42 35.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.8 mm -115.57 127.89 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 111.175 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -113.46 139.27 49.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.09 123.52 3.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.54 157.61 23.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 110.834 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -90.55 97.49 2.33 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.4 t -117.71 149.93 39.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.5 t -155.4 118.74 4.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 135.06 148.91 5.76 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 68.4 m -102.06 42.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.838 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 75.7 m -144.64 174.47 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -163.41 156.91 28.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.517 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.8 t -120.7 155.03 34.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.0 t -97.16 150.7 20.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.795 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -64.72 133.51 37.86 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 92.5 p -154.49 150.03 27.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 5.0 m -60.72 119.57 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 165.88 -54.41 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.08 176.52 2.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -125.16 146.52 49.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -164.01 109.42 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 11.3 p -74.18 137.64 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 6.3 t -47.83 130.17 11.52 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.595 0.712 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 7.0 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.07 -55.77 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -59.58 -40.67 88.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -49.29 -45.93 45.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -74.13 -56.08 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.453 HD21 ' C ' ' A' ' 119' ' ' ALA . 30.8 mt -42.28 -53.58 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 87.3 p -54.32 -46.13 72.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -56.69 -32.6 65.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 85.8 mmm -70.97 -54.7 10.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -68.48 -18.93 64.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -79.02 -70.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -109.91 -31.53 7.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 84.69 -166.99 41.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -127.1 129.57 48.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.913 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 174' ' ' ASN . 20.9 mp0 -105.86 106.5 17.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.593 ' ND2' ' CG2' ' A' ' 176' ' ' THR . 26.8 t30 -37.99 122.1 1.02 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.632 0.729 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -36.0 11.6 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.593 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 10.5 t -63.99 -18.68 64.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -108.59 65.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 179' ' ' PHE . 22.5 ttpp -83.99 -75.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' A' ' 178' ' ' LYS . 4.4 t80 33.36 51.71 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.405 ' CD2' ' HD2' ' A' ' 178' ' ' LYS . 1.3 p90 -60.27 -174.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -129.54 68.3 1.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -113.31 44.74 1.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 80.7 mtp -46.3 129.37 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -126.88 139.1 53.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.915 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m -159.02 110.57 2.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.913 0.387 . . . . 0.0 110.833 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -80.81 175.1 10.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.24 151.83 10.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -160.53 171.6 18.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.884 0.374 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -161.03 147.34 14.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.84 62.3 0.75 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.26 24.93 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.9 m -112.05 96.08 32.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.582 0.706 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 124.74 11.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -140.06 123.05 16.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.9 p -113.81 98.52 7.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -124.51 162.05 24.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.33 101.41 14.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.99 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.423 HG23 ' CA ' ' A' ' 61' ' ' ALA . 9.6 p -130.39 135.8 59.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -98.64 140.3 33.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.13 144.42 45.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -133.53 148.16 51.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -88.83 110.2 20.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 m -141.81 -175.56 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -121.73 160.41 24.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -112.47 117.5 32.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD21 ' HE2' ' A' ' 45' ' ' MET . 6.2 mp -82.92 -44.14 15.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.17 177.77 21.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.443 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.1 ttp -102.63 140.36 37.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.606 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -148.16 118.24 4.25 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.614 0.721 . . . . 0.0 110.945 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 141.61 45.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.4 m -109.92 154.95 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.84 -44.13 28.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' H ' HG21 ' A' ' 36' ' ' THR . 2.0 mpt_? -116.57 147.06 38.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.75 -12.23 32.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.376 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 87' ' ' PHE . 21.8 m -141.97 166.51 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.63 103.24 2.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.1 mmt -49.72 -41.33 43.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -54.56 -26.56 32.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.406 HG21 ' H ' ' A' ' 30' ' ' ARG . 88.6 m -91.04 -45.8 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.907 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.4 tt -57.24 -45.45 83.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.95 -48.16 72.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.4 t -44.42 -28.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -83.86 -37.85 21.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 64.7 mt -52.49 -57.06 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' ASN . 10.7 mt-10 -53.23 -52.37 59.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 42' ' ' GLU . 74.6 m-20 -37.32 -41.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.4 mt -79.04 -54.94 5.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.515 ' HE2' ' CH2' ' A' ' 53' ' ' TRP . 2.8 mtt -44.99 -41.49 7.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.2 p -60.97 -41.36 96.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.5 m -62.73 -66.13 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.4 m -109.34 150.18 28.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 56.5 m -81.91 164.08 21.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.838 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.583 ' HA ' ' CH2' ' A' ' 53' ' ' TRP . 1.7 tmtp? -48.09 -59.46 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -68.49 -23.33 64.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.436 ' HB3' ' N ' ' A' ' 49' ' ' SER . 12.3 t0 -65.85 -24.28 66.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.583 ' CH2' ' HA ' ' A' ' 50' ' ' LYS . 5.2 m0 -71.57 132.43 85.5 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.582 0.705 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.68 28.52 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.3 m -72.57 123.85 24.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.1 m -128.24 -177.95 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -124.2 127.13 47.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.7 tpp -94.12 116.13 28.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.451 ' ND2' HD12 ' A' ' 68' ' ' ILE . 5.2 m-80 -104.49 123.78 48.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 65' ' ' VAL . 95.6 t -115.04 98.46 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.423 ' CA ' HG23 ' A' ' 15' ' ' VAL . . . -90.96 -178.08 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.071 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.4 102.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 52.93 37.79 25.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.061 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.419 HG23 ' HG3' ' A' ' 81' ' ' ARG . 24.0 m -151.46 148.6 28.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 60' ' ' VAL . 82.2 t -133.63 101.16 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.3 m -100.73 134.21 44.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.703 HG12 HD12 ' A' ' 77' ' ' LEU . 90.1 t -100.95 111.15 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.451 HD12 ' ND2' ' A' ' 59' ' ' ASN . 59.1 mt -106.79 153.51 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.073 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.416 ' N ' HG22 ' A' ' 68' ' ' ILE . 2.1 t -83.78 155.12 23.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -68.17 -43.98 76.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -55.45 -69.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' A' ' 75' ' ' GLU . 3.0 p30 -103.47 161.0 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -100.37 -33.66 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.402 ' N ' ' HG2' ' A' ' 73' ' ' GLU . 11.1 pt-20 -68.4 -31.67 71.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.446 ' HB2' ' ND2' ' A' ' 72' ' ' ASN . 15.2 tp10 -54.87 113.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.46 80.5 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.703 HD12 HG12 ' A' ' 67' ' ' VAL . 97.4 mt -42.65 -59.16 2.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.8 t -148.7 134.31 11.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -107.69 97.17 6.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 43.6 t -104.36 146.07 29.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.419 ' HG3' HG23 ' A' ' 64' ' ' THR . 35.9 mtt180 -131.14 121.83 25.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.496 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 22.0 t -36.32 -50.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' VAL . 0.4 OUTLIER -37.01 -57.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 85' ' ' LEU . 38.1 m-85 -66.06 -41.53 90.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.6 tt -34.31 109.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.9 p -86.14 -37.36 18.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.481 ' HB2' HG12 ' A' ' 32' ' ' VAL . 72.8 t80 -163.87 147.4 9.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.509 ' HB3' HD21 ' A' ' 85' ' ' LEU . 6.3 ptp -139.66 148.77 42.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.67 -169.79 30.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.775 HG11 ' HA ' ' A' ' 94' ' ' VAL . 95.3 t -123.87 142.89 39.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 111.102 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.22 -151.73 0.7 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -62.81 -43.47 98.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.03 128.66 45.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.775 ' HA ' HG11 ' A' ' 90' ' ' VAL . 25.7 m -53.56 -27.43 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 2.1 m80 -60.22 -31.66 70.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.581 ' O ' HG13 ' A' ' 90' ' ' VAL . 65.1 p -78.15 154.87 30.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -152.07 114.87 4.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.907 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -126.83 146.5 50.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.086 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 111' ' ' HIS . 22.0 p90 -140.53 140.17 35.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.4 mt -97.59 121.19 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.9 ptm -121.89 158.33 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.38 118.41 29.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.3 p -127.99 38.67 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 143.09 -140.32 9.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 107' ' ' ARG . 68.4 m-20 -64.01 -175.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.776 0.322 . . . . 0.0 110.871 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -40.43 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 105' ' ' ASN . 10.6 mtp-105 -66.62 99.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 31' ' ' PRO . 7.8 m-85 -95.09 147.85 22.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -105.45 153.86 21.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.463 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 50.6 t -129.14 113.39 15.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 97.3 m-70 -93.33 127.01 38.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.552 HG22 ' HB2' ' A' ' 98' ' ' ALA . 19.5 t -108.98 139.3 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 23.0 m-85 -141.95 130.77 22.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -81.29 122.76 27.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 74.5 m -93.03 168.68 10.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.463 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 26.2 mt-10 -153.66 124.66 3.55 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.583 0.706 . . . . 0.0 110.878 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.597 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 54.1 Cg_endo -69.76 -50.82 0.17 OUTLIER 'Cis proline' 0 C--N 1.34 0.13 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.34 0.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.39 179.12 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.409 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -96.17 42.7 1.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.076 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -82.55 -55.81 4.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -60.22 -57.39 13.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 95.7 t -51.08 -56.03 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.428 ' HA ' HG12 ' A' ' 126' ' ' VAL . 73.7 m -59.73 -42.86 94.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.77 -33.86 68.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.76 -58.95 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.497 HG22 ' HE1' ' A' ' 88' ' ' MET . 6.3 p -54.44 -37.3 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -58.15 -47.08 84.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.34 -47.02 83.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.061 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.481 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -44.17 -33.5 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.442 ' SG ' ' CE ' ' A' ' 88' ' ' MET . 55.8 m -71.99 -42.7 66.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.7 t 71.0 35.16 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.42 -173.22 25.9 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 99.33 0.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.728 2.285 . . . . 0.0 112.338 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.4 t -96.61 142.96 28.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.4 m -136.04 150.01 49.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 64.27 76.24 0.31 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 137' ' ' ILE . 38.4 mt -84.76 52.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.37 168.77 3.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.05 -60.34 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.97 149.83 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -72.47 -140.87 0.37 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 32.5 t -49.91 160.13 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.915 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.6 p -68.73 126.18 28.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 113.31 98.14 2.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.447 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.8 t -110.85 136.65 49.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.834 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.2 m -167.97 157.02 9.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 157.05 114.37 0.43 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 66.8 m -106.97 110.12 22.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.4 m -146.43 156.3 43.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -99.89 -95.5 2.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.3 m -72.22 97.61 2.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 58.6 p -150.04 168.39 24.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -111.27 -162.66 17.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -65.8 108.5 2.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.359 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -86.14 -3.28 58.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -174.58 109.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 5.9 p -39.16 134.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 10.1 t -75.93 141.91 72.16 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.64 0.734 . . . . 0.0 111.108 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 3.34 2.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.4 ' O ' HD12 ' A' ' 164' ' ' LEU . 33.8 mt-10 -87.39 -35.14 18.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -84.17 -44.14 14.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -48.46 -39.39 22.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -75.85 -46.79 28.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.409 HD21 ' C ' ' A' ' 119' ' ' ALA . 18.5 mt -55.24 -50.34 69.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 168' ' ' GLN . 72.6 p -57.83 -48.61 79.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -48.19 -44.46 32.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 4.2 mtp -53.93 -55.19 29.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 165' ' ' SER . 2.8 pt20 -66.07 -27.89 68.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -68.54 -63.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -116.19 -36.18 4.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 86.49 -167.57 39.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.476 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 64.4 t80 -131.15 134.11 46.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.948 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -112.62 118.08 34.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.639 ' CG ' HG22 ' A' ' 176' ' ' THR . 10.6 t-20 -54.77 118.71 17.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 -16.93 37.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.713 2.275 . . . . 0.0 112.315 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.639 HG22 ' CG ' ' A' ' 174' ' ' ASN . 8.8 t -70.75 -35.45 72.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . 0.45 ' O ' ' CD2' ' A' ' 179' ' ' PHE . 0.6 OUTLIER -88.71 71.97 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . 0.578 ' HD3' ' CZ ' ' A' ' 180' ' ' PHE . 2.6 pptp? -72.58 131.27 42.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.945 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 177' ' ' TYR . 2.5 p90 -135.0 76.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.578 ' CZ ' ' HD3' ' A' ' 178' ' ' LYS . 0.3 OUTLIER -112.63 170.9 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 182' ' ' GLN . 21.3 mp0 -109.9 39.46 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 184' ' ' GLN . 2.0 pp0? -36.38 -46.71 0.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.39 95.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 182' ' ' GLN . 9.4 pt20 -139.32 163.99 31.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 8.3 p30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -141.1 147.77 39.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.917 0.389 . . . . 0.0 110.823 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.7 p -161.81 152.45 17.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.43 123.21 1.57 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 p -156.41 132.08 9.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.832 0.349 . . . . 0.0 110.866 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 t -173.91 118.63 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . 155.25 115.09 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.482 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HD2' ' HA2' ' A' ' 7' ' ' GLY . 53.6 Cg_endo -69.76 -178.59 2.41 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.2 m -117.36 122.17 31.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 111.17 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 143.07 49.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.32 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -83.64 107.65 16.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.5 p -54.06 101.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -112.42 152.38 28.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -50.82 103.34 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.521 HG23 ' N ' ' A' ' 61' ' ' ALA . 9.1 p -109.41 143.35 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -102.61 144.86 30.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.08 146.73 36.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -134.93 130.45 35.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -69.78 110.48 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.5 m -142.28 -177.9 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -130.18 146.64 51.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -96.53 124.51 40.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.595 HD21 ' HE2' ' A' ' 45' ' ' MET . 6.3 mp -90.49 -41.51 11.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.54 -178.99 28.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.489 ' CG ' ' OE2' ' A' ' 109' ' ' GLU . 9.1 tmm? -107.04 138.96 42.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.549 HD13 ' N ' ' A' ' 27' ' ' PRO . 0.6 OUTLIER -143.68 115.68 5.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.921 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.549 ' N ' HD13 ' A' ' 26' ' ' LEU . 53.9 Cg_endo -69.74 144.12 53.11 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.415 HG13 ' HB2' ' A' ' 110' ' ' CYS . 33.2 m -118.15 159.59 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -90.31 -39.4 12.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -118.64 144.82 36.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HA ' HG21 ' A' ' 100' ' ' ILE . 53.7 Cg_endo -69.73 -36.0 11.7 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.752 2.301 . . . . 0.0 112.303 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.497 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.9 m -117.38 149.66 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.28 103.98 1.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.448 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 mmt -52.1 -30.66 27.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.01 -26.25 68.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 m -93.81 -45.94 7.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.718 HD12 ' CD1' ' A' ' 100' ' ' ILE . 8.7 tt -56.06 -46.03 79.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -71.87 -42.93 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.4 t -54.65 -17.79 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.803 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.9 -39.18 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.469 ' HA ' HG21 ' A' ' 112' ' ' VAL . 79.2 mt -53.52 -60.13 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 44' ' ' LEU . 16.3 mm-40 -55.89 -54.18 47.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' GLU . 76.7 m-20 -34.75 -34.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 42' ' ' GLU . 39.8 mt -89.98 -44.86 9.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.595 ' HE2' HD21 ' A' ' 23' ' ' LEU . 3.0 mtt -54.44 -47.64 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 42' ' ' GLU . 5.2 t -54.24 -36.8 63.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.0 p -81.12 -63.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -95.15 139.36 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.578 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 5.9 m -93.65 176.88 6.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.5 tttt -52.72 -46.39 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.73 -37.47 79.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -57.31 -28.58 63.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 49' ' ' SER . 3.1 m0 -77.59 112.66 25.72 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 53' ' ' TRP . 54.4 Cg_endo -69.73 141.29 44.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.1 m -69.31 126.38 29.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.496 HG11 ' CD1' ' A' ' 77' ' ' LEU . 34.9 m -136.3 169.04 21.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.59 117.67 32.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.444 ' HG2' HG23 ' A' ' 60' ' ' VAL . 43.5 ttm -86.1 107.58 17.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -92.99 103.48 15.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.733 HG13 HG22 ' A' ' 65' ' ' VAL . 96.7 t -102.09 98.84 7.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.101 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.521 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -71.01 -177.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.414 ' CG ' ' N ' ' A' ' 63' ' ' ALA . 8.6 p-10 -53.2 -53.01 56.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.414 ' N ' ' CG ' ' A' ' 62' ' ' ASP . . . -130.76 39.77 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.56 HG23 ' HG3' ' A' ' 81' ' ' ARG . 5.6 m -160.01 147.81 16.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.126 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.733 HG22 HG13 ' A' ' 60' ' ' VAL . 88.7 t -127.49 100.33 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -107.1 146.47 31.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.9 t -111.41 113.66 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.56 HG21 ' HA ' ' A' ' 73' ' ' GLU . 72.9 mt -107.13 143.03 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 t -85.25 133.95 34.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -53.5 -33.44 54.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -54.19 -43.35 70.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.451 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 3.1 m-80 -153.67 147.88 25.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.56 ' HA ' HG21 ' A' ' 68' ' ' ILE . 28.2 tt0 -74.24 -28.77 61.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -83.35 3.28 32.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -97.54 83.16 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 76' ' ' VAL . 11.2 p -86.1 110.55 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.496 ' CD1' HG11 ' A' ' 56' ' ' VAL . 12.9 mt -73.52 -47.23 42.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.575 HG21 ' CE1' ' A' ' 111' ' ' HIS . 90.5 t -142.51 139.55 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -121.73 99.68 6.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 48.6 t -109.79 147.63 32.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.56 ' HG3' HG23 ' A' ' 64' ' ' THR . 24.5 ttt180 -127.3 136.37 51.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.444 HG11 ' HA ' ' A' ' 130' ' ' CYS . 69.6 t -37.85 -51.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.1 mtp-105 -54.81 -40.54 69.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ARG . 12.7 m-85 -72.54 -24.15 61.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.462 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 2.3 tt -69.6 107.39 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 71.5 p -77.32 -49.01 15.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.497 ' HB2' HG12 ' A' ' 32' ' ' VAL . 80.5 t80 -158.16 133.88 9.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.54 ' HE3' HG22 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -111.94 170.28 8.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.52 175.54 44.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 96' ' ' THR . 55.3 t -126.52 151.88 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 111.117 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.413 ' O ' HG12 ' A' ' 90' ' ' VAL . . . -80.55 -172.59 45.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -50.25 -44.21 53.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -90.13 126.29 35.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 34.1 m -59.87 -14.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 21.6 m80 -70.8 -33.88 71.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.478 ' O ' HG13 ' A' ' 90' ' ' VAL . 41.7 p -80.17 155.63 27.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.42 ' CD2' HG11 ' A' ' 122' ' ' VAL . 34.2 t80 -155.05 116.37 4.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.403 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -129.27 158.39 39.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -151.67 142.93 23.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.718 ' CD1' HD12 ' A' ' 37' ' ' LEU . 5.1 mp -97.08 120.79 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.8 ptm -115.8 170.4 8.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -112.62 108.3 17.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.5 p -98.49 43.27 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.209 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 163.05 -105.35 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -131.33 -68.58 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.312 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.43 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 4.7 tp-100 -98.9 -46.4 5.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -57.78 125.69 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 11.8 m-85 -120.79 135.32 55.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.595 ' OE2' ' CE1' ' A' ' 111' ' ' HIS . 0.8 OUTLIER -109.94 138.31 46.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.415 ' HB2' HG13 ' A' ' 28' ' ' VAL . 19.8 t -108.6 128.92 55.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.595 ' CE1' ' OE2' ' A' ' 109' ' ' GLU . 83.1 m-70 -108.8 143.34 38.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.544 HG12 HD13 ' A' ' 23' ' ' LEU . 41.4 t -124.26 128.41 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 53.2 m-85 -135.46 132.55 37.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -85.77 137.69 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.554 ' SG ' HG21 ' A' ' 122' ' ' VAL . 83.7 m -122.99 147.79 46.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.514 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.6 pp20? -138.42 132.16 16.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.659 0.743 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.8 Cg_endo -69.75 -47.41 0.31 Allowed 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.344 0.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.65 ' ND2' ' HB2' ' A' ' 120' ' ' ALA . 5.2 p-10 -124.55 -178.28 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.458 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -105.96 50.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.65 ' HB2' ' ND2' ' A' ' 118' ' ' ASN . . . -73.86 -58.01 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -64.09 -37.8 88.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.554 HG21 ' SG ' ' A' ' 115' ' ' CYS . 58.0 t -61.92 -64.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.6 m -55.46 -43.14 75.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -60.31 -39.95 88.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.59 -54.73 17.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.54 HG22 ' HE3' ' A' ' 88' ' ' MET . 7.6 p -60.11 -39.66 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -63.93 -55.16 24.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.05 98.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -42.83 -29.95 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.444 ' HA ' HG11 ' A' ' 82' ' ' VAL . 74.8 m -69.3 -54.72 13.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 95.9 p -85.31 33.34 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -47.77 -66.17 2.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -33.96 15.62 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 28.9 t -70.01 124.68 24.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 16.3 m -113.57 175.42 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 133.73 111.44 1.24 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.8 mm -118.72 143.25 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 111.142 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -113.58 129.29 56.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -142.85 48.1 0.78 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -124.01 166.88 14.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 116.92 77.54 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 48.5 m -99.57 42.25 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.8 t -104.06 140.3 37.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.89 91.14 0.37 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 26.1 m -144.54 148.87 34.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 29.3 t -154.1 143.83 21.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -104.53 42.75 1.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 13.5 m -115.23 175.26 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.1 m -153.39 124.67 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -81.21 -174.01 48.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 85.1 p -119.84 -45.11 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 56.4 m -84.51 106.53 16.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 170.25 -88.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.7 t70 59.37 42.78 17.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -138.82 171.96 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -171.37 107.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.97 139.71 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.483 ' CG2' ' HG3' ' A' ' 161' ' ' GLU . 9.7 t -84.49 142.03 39.79 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.586 0.708 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . 0.426 ' C ' ' HG2' ' A' ' 162' ' ' ARG . 53.9 Cg_endo -69.75 3.21 2.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -86.15 -49.06 8.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.483 ' HG3' ' CG2' ' A' ' 158' ' ' THR . 9.8 mt-10 -66.38 -48.37 70.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 161' ' ' GLU . 10.2 ptm180 -36.01 -35.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 166' ' ' LYS . 2.1 t60 -91.64 -57.19 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.525 HD11 HD22 ' A' ' 118' ' ' ASN . 8.8 mt -40.14 -47.32 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 66.4 p -57.1 -38.43 73.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 163' ' ' HIS . 0.8 OUTLIER -53.6 -51.32 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 73.8 mmm -49.37 -59.15 3.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.84 -28.84 69.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -62.22 -68.83 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -122.43 -32.94 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 89.78 173.17 45.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -108.81 123.25 48.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.83 111.78 23.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 85' ' ' LEU . 38.1 t30 -47.24 120.11 6.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.619 0.723 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -46.61 1.17 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.41 ' CG2' ' ND2' ' A' ' 174' ' ' ASN . 7.3 t -52.38 -31.45 33.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.186 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -101.78 54.05 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -89.37 115.52 26.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.422 ' O ' ' CG ' ' A' ' 179' ' ' PHE . 12.1 p90 -149.63 117.16 6.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -123.66 -178.57 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -110.58 20.76 17.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -61.47 -53.26 58.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 32.9 mmt -62.85 133.55 54.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -96.34 84.96 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.951 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -85.55 136.28 33.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -128.56 114.05 16.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.37 136.27 13.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -166.36 151.74 8.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 7' ' ' GLY . 34.4 t -84.65 79.58 9.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.12 -98.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 151.43 69.29 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.63 133.19 29.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 111.097 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 158.94 55.22 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.643 2.229 . . . . 0.0 112.393 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -119.29 150.2 40.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.6 p -92.92 98.97 11.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -101.11 148.43 25.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -70.13 97.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p -138.41 146.08 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -115.12 126.37 54.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -102.44 138.72 38.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -129.05 142.94 50.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.91 115.79 12.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 115' ' ' CYS . 14.9 m -140.9 -175.24 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -129.83 159.86 35.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -104.31 114.91 29.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.509 HD13 HG12 ' A' ' 112' ' ' VAL . 5.1 mp -92.67 -34.39 13.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 140.26 -176.82 21.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.1 ttp -122.71 136.34 54.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.707 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -129.7 116.96 18.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 0.0 110.942 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.407 ' HD2' HD13 ' A' ' 26' ' ' LEU . 54.2 Cg_endo -69.74 138.39 37.77 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.65 2.234 . . . . 0.0 112.367 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.0 m -137.43 171.17 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -113.63 -36.76 4.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -73.07 116.44 50.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -17.38 37.8 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 0.0 112.378 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.533 HG12 ' HB2' ' A' ' 87' ' ' PHE . 32.2 m -146.73 171.76 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.89 110.64 3.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.8 mmt -57.21 -29.75 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -61.7 -30.78 70.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.407 HG21 ' HB3' ' A' ' 30' ' ' ARG . 53.4 m -87.3 -51.09 6.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.673 HD21 ' HB3' ' A' ' 98' ' ' ALA . 9.8 tt -48.06 -50.68 27.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -63.27 -42.94 99.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -49.45 -23.35 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.707 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -89.35 -30.48 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.91 -63.0 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -50.39 -42.46 53.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -46.03 -43.56 14.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.501 HD22 ' HA3' ' A' ' 24' ' ' GLY . 8.8 mt -82.48 -56.47 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.444 ' HG2' ' CD2' ' A' ' 23' ' ' LEU . 15.9 mtp -38.64 -33.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 77.3 p -81.91 -41.2 21.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.116 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' LEU . 45.3 m -42.86 -60.63 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -120.49 -176.46 3.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.435 ' O ' ' NE1' ' A' ' 53' ' ' TRP . 23.5 m -95.65 172.39 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.578 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 17.6 tptp -66.9 -38.98 87.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -71.32 -30.44 66.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -63.97 -22.52 66.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.578 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 8.7 m0 -78.77 124.99 84.93 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.586 0.707 . . . . 0.0 110.94 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 169.76 18.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.2 p -109.47 111.31 22.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 m -122.34 167.63 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -105.02 120.86 42.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.1 tpp -85.01 111.21 19.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.449 ' ND2' HD12 ' A' ' 68' ' ' ILE . 19.7 m-80 -92.68 108.97 20.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.4 HG11 ' CA ' ' A' ' 126' ' ' VAL . 52.8 t -107.0 99.32 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.22 175.66 7.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.925 ' O ' ' HB1' ' A' ' 129' ' ' ALA . 74.5 m-20 -42.43 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 82' ' ' VAL . . . -116.41 41.71 2.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.806 HG23 ' HG3' ' A' ' 81' ' ' ARG . 5.3 m -162.23 136.43 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.1 t -124.77 102.45 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.8 m -102.42 150.7 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.7 t -112.73 107.52 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.495 HG21 ' HA ' ' A' ' 73' ' ' GLU . 53.7 mt -104.39 145.46 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.477 ' CB ' ' HG2' ' A' ' 75' ' ' GLU . 0.9 OUTLIER -81.55 160.66 23.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -83.95 28.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -120.2 -41.89 2.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -149.8 142.75 24.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.495 ' HA ' HG21 ' A' ' 68' ' ' ILE . 7.1 tp10 -66.84 -31.48 72.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.495 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 3.2 pm0 -83.51 0.93 44.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 69' ' ' SER . 5.0 tp10 -87.19 81.94 7.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 76' ' ' VAL . 13.2 p -89.3 121.48 39.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.88 -40.77 8.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 91.5 t -142.08 124.74 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -112.81 98.47 7.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 52.4 t -105.34 147.82 27.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.806 ' HG3' HG23 ' A' ' 64' ' ' THR . 1.3 mpt_? -128.67 136.08 50.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.434 ' O ' ' ND2' ' A' ' 174' ' ' ASN . 6.9 m -49.11 -43.8 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.0 mtt-85 -46.88 -26.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -98.05 -35.91 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.7 tt -45.14 114.27 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.2 p -89.67 -43.68 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.533 ' HB2' HG12 ' A' ' 32' ' ' VAL . 54.0 t80 -157.72 141.32 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.483 ' HB3' HD21 ' A' ' 85' ' ' LEU . 16.0 ptp -130.09 153.38 48.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -177.27 172.89 45.76 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.818 HG13 ' O ' ' A' ' 96' ' ' THR . 73.3 t -107.65 144.65 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 111.165 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.48 -161.42 3.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -57.33 -35.37 69.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -101.44 129.68 47.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.639 ' HA ' HG11 ' A' ' 90' ' ' VAL . 3.0 m -57.63 -32.75 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -58.74 -27.83 65.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.818 ' O ' HG13 ' A' ' 90' ' ' VAL . 64.0 p -87.14 156.28 19.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -157.13 113.88 3.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.673 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -121.64 148.03 45.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -136.58 141.2 43.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.1 mt -98.51 122.8 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.7 ptm -116.23 155.66 27.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.547 ' OD2' ' CZ ' ' A' ' 177' ' ' TYR . 0.8 OUTLIER -101.59 112.73 25.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.817 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.9 p -90.82 -45.76 8.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -109.95 -115.14 3.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -109.89 -58.0 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.811 0.339 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.443 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 22.2 mt-30 -110.53 -40.59 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -58.39 118.38 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.443 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 9.6 m-85 -115.55 140.33 49.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -108.18 131.0 55.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 4.5 t -109.72 113.97 27.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 113' ' ' PHE . 96.8 m-70 -94.72 152.34 18.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.509 HG12 HD13 ' A' ' 23' ' ' LEU . 29.9 t -127.3 137.02 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 111' ' ' HIS . 46.5 m-85 -146.19 126.14 13.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -80.47 119.8 23.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.609 ' SG ' HG21 ' A' ' 122' ' ' VAL . 82.9 m -91.13 161.49 15.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.502 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 6.4 mm-40 -144.85 129.43 9.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.692 0.758 . . . . 0.0 110.877 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.7 Cg_endo -69.77 -48.57 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.361 -0.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -125.44 -177.64 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.427 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -98.01 43.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.681 ' N ' HD21 ' A' ' 164' ' ' LEU . . . -82.33 -48.95 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -80.07 -39.21 30.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.609 HG21 ' SG ' ' A' ' 115' ' ' CYS . 71.1 t -56.1 -64.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.43 ' HA ' HG12 ' A' ' 126' ' ' VAL . 19.5 m -59.77 -37.03 77.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -62.23 -39.37 92.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.11 -60.63 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 122' ' ' VAL . 8.4 p -53.53 -38.54 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.82 -55.83 29.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.98 -44.33 89.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.925 ' HB1' ' O ' ' A' ' 62' ' ' ASP . . . -40.33 -49.71 2.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 129' ' ' ALA . 95.8 m -34.37 -40.3 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.3 m -106.17 -48.63 3.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 150.85 -167.34 30.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 106.68 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.262 . . . . 0.0 112.342 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 t -111.37 131.93 54.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 84.3 p -65.54 97.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 47.86 -128.5 16.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.456 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 60.5 mt -105.98 129.73 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -58.64 -56.05 27.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 130.92 148.52 6.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 4.8 mtp-105 -121.64 146.97 46.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 54.05 169.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 73.7 m -157.06 123.26 4.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 34.8 t -167.29 155.14 9.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 113.99 157.34 12.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 54.1 p -123.01 -44.02 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.818 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.8 m -141.85 145.2 34.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -65.67 127.86 31.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.0 t -111.26 117.62 33.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 42.3 m -50.82 145.57 6.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -127.38 141.45 12.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 23.0 t -53.01 156.16 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.823 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 16.1 m -96.15 100.33 11.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 164.09 87.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -157.61 158.19 35.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -38.35 155.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -134.24 95.31 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 8.4 p -113.91 151.36 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.414 ' CG2' ' HG3' ' A' ' 161' ' ' GLU . 9.2 t -81.87 142.05 48.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.606 0.717 . . . . 0.0 111.086 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -5.53 16.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.477 ' OE1' ' HB1' ' A' ' 120' ' ' ALA . 3.9 mm-40 -72.01 -46.65 56.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.419 ' HA ' HD12 ' A' ' 164' ' ' LEU . 12.0 mt-10 -71.45 -46.82 59.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -38.61 -33.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -91.22 -50.81 5.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.681 HD21 ' N ' ' A' ' 120' ' ' ALA . 13.9 mt -48.2 -32.64 7.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 9.8 p -72.3 -52.03 18.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -46.44 -37.71 8.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 2.6 mmt -60.97 -45.6 94.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -77.27 -26.65 52.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -65.46 -74.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -111.61 -39.48 4.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 95.05 -148.5 19.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . 0.4 ' HB3' ' CG ' ' A' ' 88' ' ' MET . 48.9 t80 -143.13 118.56 10.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -100.48 110.88 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.71 ' OD1' HG22 ' A' ' 176' ' ' THR . 37.9 t-20 -50.52 119.63 11.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -14.76 36.57 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.716 2.278 . . . . 0.0 112.33 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.71 HG22 ' OD1' ' A' ' 174' ' ' ASN . 3.7 t -84.84 -28.11 26.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.152 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . 0.547 ' CZ ' ' OD2' ' A' ' 102' ' ' ASP . 0.3 OUTLIER -122.68 85.27 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -115.6 130.19 56.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -128.96 52.22 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -83.54 174.75 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -126.94 67.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 183' ' ' MET . 13.6 pt20 -55.52 -39.43 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . 0.477 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 2.3 ptt? -130.73 138.46 49.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -171.07 113.0 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -72.16 167.02 21.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t 56.39 41.52 28.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.44 137.56 9.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m -101.33 155.31 18.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m -132.03 136.78 47.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.06 79.65 0.37 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 163.45 38.21 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.453 ' C ' ' H ' ' A' ' 11' ' ' LYS . 48.5 p -39.61 146.8 0.35 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.562 0.696 . . . . 0.0 111.088 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.666 ' O ' HG23 ' A' ' 12' ' ' THR . 54.2 Cg_endo -69.75 17.07 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 9' ' ' THR . 17.3 ttmt -46.63 110.79 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 10' ' ' PRO . 43.7 p -119.18 134.44 55.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -126.12 166.12 17.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.11 137.99 39.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.53 HG23 ' HB2' ' A' ' 61' ' ' ALA . 9.2 p -138.24 129.51 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.162 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -96.61 144.72 26.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.12 149.9 36.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -134.93 140.11 45.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -82.78 104.41 13.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 115' ' ' CYS . 22.0 m -139.56 -176.75 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -119.21 164.99 14.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.433 ' CD1' ' CE2' ' A' ' 113' ' ' PHE . 10.4 t80 -115.58 108.35 16.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.525 HD23 ' HG2' ' A' ' 45' ' ' MET . 6.3 mp -74.74 -44.0 52.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.419 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 148.81 176.03 21.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' A' ' 26' ' ' LEU . 12.2 tmm? -102.67 145.04 30.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.522 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.4 OUTLIER -144.35 117.96 5.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 110.911 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.8 48.84 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.713 2.275 . . . . 0.0 112.332 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.6 m -126.86 150.98 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -105.59 15.65 26.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -137.49 133.32 18.02 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.561 0.696 . . . . 0.0 110.895 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -32.91 17.52 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.715 HG12 ' HB2' ' A' ' 87' ' ' PHE . 32.7 m -140.35 173.92 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.46 107.63 2.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 61.0 mmm -55.15 -38.62 68.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -49.74 -38.62 34.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 98.0 m -79.32 -44.19 22.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.201 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.86 -48.24 70.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -64.88 -40.4 95.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -58.44 -23.11 56.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -86.78 -28.35 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.406 HD13 ' HA3' ' A' ' 91' ' ' GLY . 81.6 mt -67.73 -59.22 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -53.91 -46.8 71.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -40.5 -44.19 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.419 HD22 ' HA3' ' A' ' 24' ' ' GLY . 10.9 mt -80.28 -56.16 4.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.525 ' HG2' HD23 ' A' ' 23' ' ' LEU . 4.2 mtt -39.07 -36.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.1 p -72.75 -51.14 20.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 m -55.73 -58.51 7.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.5 m -106.85 152.61 23.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.444 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 25.2 m -93.86 176.05 6.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 20.5 tptp -59.69 -48.85 80.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -70.27 -21.33 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -71.44 -25.36 62.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.535 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 5.2 m0 -77.7 116.27 56.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.565 0.697 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 140.03 41.66 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.64 2.226 . . . . 0.0 112.358 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 m -72.87 127.76 33.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.431 HG11 ' CD1' ' A' ' 77' ' ' LEU . 17.4 m -135.4 169.05 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -106.42 118.36 36.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.1 ttm -87.61 103.83 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.755 ' ND2' HD12 ' A' ' 68' ' ' ILE . 3.1 m-80 -92.01 103.86 16.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.532 HG13 HG22 ' A' ' 65' ' ' VAL . 98.7 t -106.03 100.53 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.626 ' HB3' ' HB ' ' A' ' 64' ' ' THR . . . -78.52 171.7 14.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ALA . 8.3 m-20 -35.31 -65.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -124.35 39.54 3.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.064 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 61' ' ' ALA . 19.5 m -150.82 148.11 28.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.532 HG22 HG13 ' A' ' 60' ' ' VAL . 95.0 t -132.58 100.5 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.6 m -112.02 134.55 53.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.598 HG12 HD12 ' A' ' 77' ' ' LEU . 94.0 t -99.01 114.82 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.755 HD12 ' ND2' ' A' ' 59' ' ' ASN . 75.3 mt -104.66 149.85 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.7 t -87.93 157.73 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.99 -39.24 61.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -51.78 -59.32 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -124.14 147.54 47.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -82.6 -26.91 31.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -85.15 10.04 13.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -92.37 111.94 23.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 76' ' ' VAL . 22.9 t -95.84 90.62 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.598 HD12 HG12 ' A' ' 67' ' ' VAL . 62.7 mt -57.41 -50.0 74.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.2 t -148.14 136.44 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -112.94 96.23 5.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.409 ' SG ' ' CB ' ' A' ' 101' ' ' MET . 32.9 t -113.25 142.18 46.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 82' ' ' VAL . 40.1 mtt180 -123.37 130.07 52.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.465 HG11 ' HA ' ' A' ' 130' ' ' CYS . 92.8 t -34.48 -58.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.628 ' HA ' HG21 ' A' ' 176' ' ' THR . 9.2 ptt85 -40.42 -43.86 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.435 ' CZ ' ' NH2' ' A' ' 83' ' ' ARG . 12.3 m-85 -70.95 -39.93 72.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tt -41.19 121.4 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.1 p -96.37 -53.35 3.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.715 ' HB2' HG12 ' A' ' 32' ' ' VAL . 89.7 t80 -153.63 135.17 14.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.8 ptp -125.46 163.06 23.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.9 -165.93 32.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.671 HG11 ' HA ' ' A' ' 94' ' ' VAL . 79.0 t -130.8 140.44 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.933 0.397 . . . . 0.0 111.087 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.406 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . -69.83 -170.79 8.22 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.472 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -49.69 -37.89 30.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.13 129.0 49.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.671 ' HA ' HG11 ' A' ' 90' ' ' VAL . 3.0 m -56.65 -35.73 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -51.37 -27.23 9.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.2 p -85.53 159.79 19.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -158.18 116.35 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.663 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -129.0 151.59 49.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -141.33 141.42 33.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.2 mt -97.66 122.16 48.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.409 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER -119.44 158.97 25.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.457 ' OD2' ' CE2' ' A' ' 177' ' ' TYR . 0.9 OUTLIER -104.35 110.22 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.3 p -77.28 -46.23 23.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.38 -99.94 2.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -123.12 -53.37 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.757 0.313 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.527 ' O ' ' CZ ' ' A' ' 108' ' ' PHE . 34.8 mt-30 -111.37 -41.19 4.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 43.2 mtt85 -60.82 108.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.527 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 4.7 m-85 -108.63 139.64 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -111.75 133.87 53.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 17.4 t -108.62 113.45 26.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -99.59 133.43 43.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.663 HG22 ' HB2' ' A' ' 98' ' ' ALA . 17.6 t -116.49 141.84 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.433 ' CE2' ' CD1' ' A' ' 22' ' ' TYR . 43.4 m-85 -143.99 140.59 29.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.524 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 45.9 t-105 -86.13 117.9 25.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.47 ' HA ' HG12 ' A' ' 20' ' ' VAL . 80.7 m -89.87 157.81 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 5.4 mm-40 -143.16 127.93 9.76 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.655 0.74 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 53.8 Cg_endo -69.74 -49.37 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.328 0.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.06 -176.45 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.416 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -101.11 46.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.08 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.65 -43.18 12.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -79.65 -52.59 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 94.8 t -51.42 -59.57 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.8 t -57.62 -42.14 82.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -62.88 -35.35 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.03 -49.57 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 127' ' ' GLN . 10.2 p -68.33 -39.6 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.403 ' N ' HG13 ' A' ' 126' ' ' VAL . 39.5 tt0 -57.48 -53.92 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.64 97.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -40.59 -41.95 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.465 ' HA ' HG11 ' A' ' 82' ' ' VAL . 79.6 m -48.09 -60.34 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.2 t -89.07 -56.15 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 134.94 172.81 12.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -18.06 37.21 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.667 2.244 . . . . 0.0 112.355 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 85.5 p -66.69 -50.57 62.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.9 t -75.18 135.32 41.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -179.72 156.83 19.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.5 mm -77.26 115.25 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 111.106 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -39.4 -60.36 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 149.23 46.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.73 119.73 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.903 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -120.31 49.32 0.88 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.1 t -61.37 146.85 46.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.903 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.3 t -108.33 -51.57 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 40.81 58.14 2.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.5 t -107.92 140.8 40.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.9 t -122.6 117.84 26.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.39 160.23 12.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.8 m -106.85 97.33 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.856 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 23.0 m -85.28 43.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 95.51 -148.19 18.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 67.0 p -86.84 40.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.8 m -134.35 172.1 13.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 171.18 -67.08 0.14 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -129.41 122.09 28.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.777 0.322 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -73.25 154.17 40.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -102.32 26.41 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 58.4 t -38.7 121.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 13.1 t -54.45 141.12 54.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.634 0.731 . . . . 0.0 111.13 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 5.11 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.33 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -82.32 -45.55 14.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -82.57 -36.38 26.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -59.68 -35.46 74.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -81.8 -55.02 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.427 HD22 ' HB ' ' A' ' 94' ' ' VAL . 26.2 mt -39.18 -36.78 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 54.5 m -69.18 -48.35 62.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -40.29 -42.27 1.5 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 46.2 mmm -65.47 -50.89 63.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.418 ' OE1' HG12 ' A' ' 94' ' ' VAL . 37.6 mt-30 -66.47 -17.46 64.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -83.71 -73.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -104.56 -45.61 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 100.46 -148.67 18.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -145.49 130.66 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 110.918 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -115.12 112.13 22.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.583 ' CG ' HG22 ' A' ' 176' ' ' THR . 13.1 t-20 -57.74 118.56 26.84 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.587 0.708 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -27.64 26.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.321 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.628 HG21 ' HA ' ' A' ' 83' ' ' ARG . 9.7 t -58.4 -42.02 86.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . 0.457 ' CE2' ' OD2' ' A' ' 102' ' ' ASP . 0.4 OUTLIER -105.11 58.16 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -95.51 63.36 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -115.97 49.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -73.52 173.15 10.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -128.51 68.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -120.84 -47.68 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 10.5 ptm -39.21 145.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -69.2 114.19 7.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 29.8 t30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -165.29 170.3 14.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 m -124.37 171.46 9.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.73 162.98 14.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.9 p -171.17 170.12 6.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 m -143.24 112.25 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.94 143.45 5.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 146.52 60.59 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.72 2.28 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p -42.03 154.02 0.27 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.553 0.692 . . . . 0.0 111.158 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 125.26 11.94 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -92.72 123.59 36.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.6 t -142.33 142.69 32.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -53.82 163.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -51.55 100.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 61' ' ' ALA . 9.5 p -108.18 152.5 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -107.79 124.84 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -98.78 135.91 39.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -118.71 135.91 54.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -77.26 107.59 9.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.1 m -139.48 178.37 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -113.42 156.27 23.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -110.33 109.25 19.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.977 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.643 HD13 HG12 ' A' ' 112' ' ' VAL . 6.3 mp -76.62 -49.36 16.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.604 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . 161.46 -171.53 37.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.8 ttp -119.17 128.85 54.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.82 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -139.21 117.5 8.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.928 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.495 ' HD2' HD13 ' A' ' 26' ' ' LEU . 53.7 Cg_endo -69.82 160.18 50.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.7 m -121.85 -177.62 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -116.96 -37.61 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -109.82 143.58 28.19 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.629 0.728 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -32.22 18.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.5 m -129.87 145.59 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.44 118.92 2.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.7 mmt -64.97 -40.38 94.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -51.93 -22.21 3.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.2 m -97.91 -43.18 7.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.499 HD21 ' HB3' ' A' ' 98' ' ' ALA . 10.3 tt -58.88 -45.91 89.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -66.19 -37.64 86.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -53.49 -24.27 12.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.82 ' HB1' ' HB3' ' A' ' 26' ' ' LEU . . . -86.43 -35.71 19.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.503 ' HA ' HG21 ' A' ' 112' ' ' VAL . 51.1 mt -59.99 -62.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.674 ' O ' HG22 ' A' ' 46' ' ' THR . 3.3 mm-40 -49.77 -51.39 39.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -39.66 -38.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.604 HD22 ' HA3' ' A' ' 24' ' ' GLY . 9.4 mt -86.71 -47.5 9.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.57 ' HE1' ' HZ3' ' A' ' 114' ' ' TRP . 3.8 mtp -48.52 -47.51 38.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 42' ' ' GLU . 5.7 t -73.69 -29.64 62.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.8 m -59.02 -54.85 42.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.1 m -119.6 176.85 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.6 t -91.83 163.45 14.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.529 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 29.0 tttt -64.65 -18.56 65.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -89.73 -32.87 16.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.1 -31.41 68.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.529 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 2.8 m0 -67.67 111.77 8.48 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.524 0.678 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.12 66.41 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 79.6 p -86.37 118.3 25.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.0 m -124.89 169.73 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 69' ' ' SER . 3.9 m-20 -98.34 126.38 43.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.481 ' HE2' ' CD1' ' A' ' 113' ' ' PHE . 54.3 ttm -97.32 98.2 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -82.38 107.96 15.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.573 HG13 HG22 ' A' ' 65' ' ' VAL . 84.5 t -107.41 98.43 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.47 ' N ' HG23 ' A' ' 15' ' ' VAL . . . -75.38 -178.31 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -49.28 -59.01 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.81 40.14 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 61' ' ' ALA . 22.9 m -158.74 149.04 19.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.573 HG22 HG13 ' A' ' 60' ' ' VAL . 99.5 t -130.81 102.44 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.8 m -104.91 149.15 25.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.672 HG12 HD12 ' A' ' 77' ' ' LEU . 85.0 t -111.36 113.61 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.7 mt -114.1 150.32 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.113 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.492 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 7.9 t -56.37 173.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -76.1 -42.36 47.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 72' ' ' ASN . 12.6 ptmm? -99.16 -52.79 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.403 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 4.1 m120 -63.55 144.34 57.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -104.89 -33.88 8.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -89.08 -12.25 41.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -73.56 92.33 1.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 76' ' ' VAL . 9.4 p -91.8 118.55 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.672 HD12 HG12 ' A' ' 67' ' ' VAL . 16.2 mt -84.67 -46.85 11.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.9 t -144.02 139.15 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -120.2 94.31 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 50.6 t -104.75 144.49 31.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -122.0 130.93 53.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.452 HG21 ' HB1' ' A' ' 129' ' ' ALA . 77.4 t -42.73 -56.37 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -38.85 -52.88 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -65.82 -33.62 76.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.748 HD21 ' HB3' ' A' ' 88' ' ' MET . 2.3 tt -41.69 120.21 1.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.4 t -94.04 -50.74 5.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -150.16 128.73 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.748 ' HB3' HD21 ' A' ' 85' ' ' LEU . 7.0 ptp -122.85 139.13 54.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.79 -165.5 23.24 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 96' ' ' THR . 55.1 t -129.01 145.29 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.177 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.52 -165.9 5.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.428 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -46.4 55.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.03 124.01 37.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.778 ' HA ' HG11 ' A' ' 90' ' ' VAL . 18.5 m -52.55 -22.4 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 6.4 m80 -64.82 -33.09 75.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.835 ' O ' HG13 ' A' ' 90' ' ' VAL . 65.8 p -80.19 150.27 30.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -145.14 115.89 7.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.499 ' HB3' HD21 ' A' ' 37' ' ' LEU . . . -130.96 142.25 50.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -135.21 146.33 48.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -96.24 117.98 41.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.598 ' HE2' HG22 ' A' ' 103' ' ' THR . 25.9 ptm -117.99 145.34 44.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.65 113.56 26.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.598 HG22 ' HE2' ' A' ' 101' ' ' MET . 51.7 p -103.85 -50.23 3.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -120.98 -131.81 4.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 107' ' ' ARG . 32.3 m-20 -59.16 -174.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.451 ' O ' ' CE1' ' A' ' 108' ' ' PHE . 26.1 mt-30 -41.8 -23.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' ASN . 23.7 mtt-85 -67.09 97.76 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.451 ' CE1' ' O ' ' A' ' 106' ' ' GLN . 2.9 m-85 -88.32 151.29 22.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -105.56 133.31 50.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 28.9 t -113.45 110.62 20.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 93.0 m-70 -93.01 135.3 34.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.643 HG12 HD13 ' A' ' 23' ' ' LEU . 40.7 t -113.18 138.21 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.481 ' CD1' ' HE2' ' A' ' 58' ' ' MET . 31.4 m-85 -144.09 127.74 17.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.57 ' HZ3' ' HE1' ' A' ' 45' ' ' MET . 45.0 t-105 -77.49 130.55 37.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 79.0 m -105.58 144.93 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.486 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 11.7 mp0 -129.88 127.99 22.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.695 0.76 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.58 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 53.7 Cg_endo -69.79 -50.28 0.19 OUTLIER 'Cis proline' 0 C--N 1.342 0.234 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.343 -0.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.64 -176.36 2.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.477 ' C ' HD21 ' A' ' 164' ' ' LEU . . . -104.94 36.47 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.81 ' HB2' HD11 ' A' ' 164' ' ' LEU . . . -75.91 -49.42 17.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -63.73 -52.84 58.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.8 t -53.41 -52.26 33.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -60.39 -41.87 94.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -63.21 -41.67 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.22 -51.13 69.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.524 HG22 ' SD ' ' A' ' 88' ' ' MET . 7.7 p -61.49 -42.07 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.412 ' N ' HG13 ' A' ' 126' ' ' VAL . 32.2 tt0 -55.74 -41.46 73.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.14 71.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.452 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -42.81 -45.24 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 131' ' ' SER . 7.6 p -84.14 -48.21 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 130' ' ' CYS . 9.5 t -35.82 -45.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.41 -154.17 52.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 97.21 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 32.7 m -91.99 174.34 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 61.4 m -143.36 106.71 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.83 152.32 20.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 71.2 mt -97.97 126.5 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -105.57 126.16 51.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -127.78 167.62 20.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -71.15 -48.01 54.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 99.32 -98.13 1.92 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.2 t -166.31 160.14 15.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.369 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 81.5 p -126.99 145.56 50.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -172.23 -145.96 5.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 51.8 p -116.06 174.71 5.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.1 m -94.83 145.48 24.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -86.33 -170.86 47.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 18.7 m -137.52 171.81 13.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.5 t -72.99 95.47 2.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -179.03 68.89 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 96.5 p -165.12 154.02 12.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 43.7 t -88.91 85.9 6.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -153.78 -83.21 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 43.94 42.31 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -135.99 143.56 44.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -163.01 106.35 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 7.9 p -78.1 140.57 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 9.0 t -73.95 141.57 78.55 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.563 0.697 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 2.7 3.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.238 . . . . 0.0 112.366 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -85.01 -37.03 20.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.33 -53.06 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -41.89 -50.83 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 166' ' ' LYS . 11.7 t60 -61.42 -58.94 6.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.81 HD11 ' HB2' ' A' ' 120' ' ' ALA . 8.0 mt -36.83 -53.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 5.3 m -55.18 -37.91 67.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 163' ' ' HIS . 5.8 mmtp -57.48 -32.58 67.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.408 ' O ' ' CA ' ' A' ' 171' ' ' GLY . 81.1 mmm -72.05 -57.87 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.599 ' OE1' HG12 ' A' ' 94' ' ' VAL . 7.9 pt20 -63.43 -28.58 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -69.4 -74.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -103.12 -32.03 9.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 167' ' ' MET . . . 74.58 -172.61 52.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -135.85 125.54 25.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.458 ' O ' ' CD ' ' A' ' 173' ' ' GLU . 2.4 pp20? -110.84 109.17 19.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.516 ' CG ' HG22 ' A' ' 176' ' ' THR . 9.5 t-20 -34.47 118.37 0.53 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.647 0.737 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -28.19 25.56 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.645 2.23 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.516 HG22 ' CG ' ' A' ' 174' ' ' ASN . 10.1 t -63.0 -31.73 72.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -87.33 71.03 10.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -112.06 149.17 32.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 1.3 t80 -129.8 -51.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -173.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -126.64 45.86 2.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -75.6 49.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.18 131.75 10.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -121.54 150.09 42.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.964 . . . . . . . . 0 0 . 1 stop_ save_