data_1win_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 1win _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.6 mt . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.833 0.349 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.7 mtm -100.92 134.53 43.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.9 m -100.9 103.51 14.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.462 HD11 ' N ' ' A' ' 69' ' ' LEU . 20.8 mt -109.77 128.68 55.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -106.41 97.54 16.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.662 0.744 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 91.57 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.403 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -111.17 149.58 30.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 t -141.32 145.81 35.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -130.03 142.39 50.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 70.38 51.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.453 ' CG1' ' HG3' ' A' ' 77' ' ' ARG . 31.6 m -116.75 88.8 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -52.24 122.41 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.461 HG22 ' CG2' ' A' ' 85' ' ' VAL . 79.1 p -64.15 -175.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.74 -55.02 12.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -59.41 -52.39 65.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.94 42.44 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.3 t -122.55 116.47 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.7 117.81 10.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.064 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -116.37 164.21 14.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 m -120.04 109.6 15.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.232 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.44 ' CG2' HG22 ' A' ' 122' ' ' VAL . 78.8 t -114.67 123.47 70.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.2 m -75.98 -53.75 7.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.05 148.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.8 t -151.33 121.83 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.78 156.3 45.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -114.59 140.77 48.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.438 HG21 ' CG2' ' A' ' 112' ' ' ILE . 5.2 p -135.32 163.1 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -154.28 153.54 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -69.43 148.38 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.7 mtm . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.771 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.871 0.367 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -109.74 -32.83 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.1 m -63.18 -57.82 9.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.13 -23.97 67.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -79.96 -16.51 55.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.843 0.354 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -53.94 -52.65 59.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mp -52.44 -63.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -46.4 -36.75 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -65.03 -58.29 6.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.0 t -47.11 -55.93 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.24 -49.31 84.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.462 ' N ' HD11 ' A' ' 17' ' ' LEU . 16.7 tp -54.07 -40.17 66.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -57.08 -55.69 31.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.3 m -42.37 -57.08 2.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.473 HD23 ' CB ' ' A' ' 103' ' ' ALA . 91.3 mt -64.2 -52.11 60.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.12 -67.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.09 -56.16 2.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -47.78 -51.23 23.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.7 tp -42.07 -54.76 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.453 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 37.4 ttp180 -53.95 -51.85 62.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -53.46 -47.95 69.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.2 mm -69.43 -27.12 33.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' CD2' HG21 ' A' ' 24' ' ' VAL . 5.1 tt -77.9 -31.16 51.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.44 -46.36 70.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -71.63 -20.31 61.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.358 . . . . 0.0 111.122 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.6 mt -98.93 129.82 45.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.402 ' CG2' ' H ' ' A' ' 86' ' ' GLU . 6.5 t -70.4 -177.29 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 26' ' ' THR . 9.5 t -77.33 -15.49 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.402 ' H ' ' CG2' ' A' ' 84' ' ' THR . 2.0 mp0 -87.19 -66.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -39.62 -40.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.99 -73.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.559 ' CE1' HG12 ' A' ' 122' ' ' VAL . 35.1 m-85 -48.98 -48.56 43.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -42.43 -61.91 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.89 81.82 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 62.2 mtm180 -66.82 -45.05 79.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -45.85 -39.39 8.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -71.49 -54.4 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -39.52 -51.74 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.06 95.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -56.22 -35.26 67.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.3 mt -71.03 -49.21 47.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -54.6 -36.87 37.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -83.72 -34.11 24.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.805 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -69.88 -29.6 66.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.6 p -87.92 -29.79 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.473 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -86.6 -30.62 21.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.478 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -47.57 -60.37 4.24 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.577 0.703 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.9 Cg_endo -69.67 -0.32 6.67 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.404 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.81 -53.62 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 112' ' ' ILE . 16.2 m -54.91 -24.47 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.97 -15.6 36.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.435 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -76.75 -37.18 56.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.819 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.445 ' CE ' HG12 ' A' ' 107' ' ' VAL . 0.4 OUTLIER -85.48 -29.84 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.59 32.11 2.19 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.454 ' O ' ' CG2' ' A' ' 107' ' ' VAL . 39.3 mm -127.58 138.75 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 0.0 111.137 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -116.29 141.43 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.974 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.428 HD12 ' C ' ' A' ' 114' ' ' ILE . 2.4 pp -88.74 143.43 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -94.88 -54.12 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.6 t -155.96 162.31 40.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.789 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -140.8 126.16 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.1 m -138.94 173.64 11.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.8 mm -113.75 126.32 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -79.81 -72.25 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -149.14 139.16 22.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.559 HG12 ' CE1' ' A' ' 89' ' ' TYR . 21.0 t -125.72 101.97 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -118.5 167.55 11.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.0 mt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.712 0.291 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 71.9 mtm -111.95 138.32 48.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.7 m -106.05 104.45 14.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 mt -113.42 128.36 56.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.466 ' NE2' HG22 ' A' ' 37' ' ' VAL . 3.3 mm-40 -102.0 100.5 15.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.708 . . . . 0.0 110.922 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 80.53 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.381 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.9 ttp85 -95.17 141.59 28.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.8 m -142.59 119.06 10.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -115.49 157.37 24.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 t0 65.32 47.27 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 24.6 m -114.71 102.7 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.27 118.58 6.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.452 HG22 ' CG2' ' A' ' 85' ' ' VAL . 17.4 p -65.93 -175.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.63 -50.06 61.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 pm0 -68.69 -26.24 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.86 51.79 0.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.404 HG13 ' CD2' ' A' ' 32' ' ' LEU . 17.0 t -130.65 115.49 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 111.15 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.413 ' HA ' ' C ' ' A' ' 24' ' ' VAL . . . -66.13 119.74 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.404 ' CD2' HG13 ' A' ' 30' ' ' VAL . 4.1 mm? -122.11 165.74 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -124.54 121.49 34.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.461 HG21 ' CG1' ' A' ' 122' ' ' VAL . 75.6 t -126.03 108.13 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.0 m -55.61 -58.46 7.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.97 147.63 0.33 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.474 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.466 HG22 ' NE2' ' A' ' 18' ' ' GLN . 54.4 t -152.11 114.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 111.129 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.74 129.44 32.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -84.36 131.29 34.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.405 HG21 ' N ' ' A' ' 41' ' ' LYS . 8.6 p -128.28 162.5 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' N ' HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -155.39 152.43 29.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.437 HD11 ' CD1' ' A' ' 112' ' ' ILE . 7.7 mm -73.92 129.43 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.861 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.818 0.342 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 110' ' ' MET . . . -107.49 -39.8 5.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -38.51 -67.42 0.21 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -65.42 -22.18 66.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -36.34 83.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CE1' HG21 ' A' ' 64' ' ' ILE . 26.6 m-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.829 0.347 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.26 -51.45 68.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.564 HG21 ' CE1' ' A' ' 56' ' ' PHE . 5.2 mp -54.45 -64.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -41.25 -38.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -70.34 -55.97 7.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.0 t -46.65 -58.18 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.5 t -55.99 -51.85 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 tp -50.8 -40.32 55.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.07 -50.47 73.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 83.6 m -46.17 -46.51 17.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -76.48 -35.09 58.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' GLY . 33.3 mt-10 -64.4 -69.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -37.78 -52.46 1.97 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 78' ' ' SER . 30.6 m-70 -56.91 -52.09 66.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 75' ' ' HIS . 3.4 tp -36.6 -50.57 0.81 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 77' ' ' ARG . 10.3 mtp-105 -60.19 -43.66 95.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' HIS . 12.7 t -59.64 -50.83 72.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.3 mm -67.83 -24.89 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.419 ' CD2' HG22 ' A' ' 24' ' ' VAL . 6.2 tt -78.24 -35.48 48.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.03 -51.06 60.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -69.02 -19.17 64.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 111.096 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.531 HD21 ' CD1' ' A' ' 95' ' ' PHE . 8.8 tp -89.56 161.96 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' VAL . 71.4 p -114.09 141.04 47.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.452 ' CG2' HG22 ' A' ' 26' ' ' THR . 36.7 t -36.79 -63.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 85' ' ' VAL . 20.6 mt-10 -37.12 -51.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -58.82 -58.22 9.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.1 mt -42.71 -43.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.522 ' CZ ' HG22 ' A' ' 122' ' ' VAL . 21.6 m-85 -74.05 -61.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' TYR . 4.8 mt-30 -33.99 -62.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.09 99.88 4.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -77.53 -35.97 52.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -53.28 -49.53 66.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -59.76 -40.2 87.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.531 ' CD1' HD21 ' A' ' 83' ' ' LEU . 21.9 t80 -53.82 -61.5 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.85 -47.01 31.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 14.6 ttmt -44.97 -35.24 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.8 mt -76.37 -38.56 55.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.54 -42.03 86.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.466 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 28.5 ptt180 -76.79 -30.01 56.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 97' ' ' LYS . 3.9 mm-40 -70.14 -32.41 70.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 p -83.19 -31.17 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -81.9 -41.09 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.475 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -33.95 -60.09 0.49 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.8 Cg_endo -69.78 -22.31 32.16 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 103' ' ' ALA . 3.9 t70 -75.46 -60.96 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.6 m -48.84 -36.22 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.18 -24.76 1.6 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -63.47 -56.34 16.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.79 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.495 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 4.1 ptt? -67.51 -33.06 74.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 115.83 34.24 1.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.414 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.437 ' CD1' HD11 ' A' ' 42' ' ' ILE . 43.8 mm -118.78 146.91 22.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.82 0.343 . . . . 0.0 111.117 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -122.16 133.7 54.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.406 ' C ' HD11 ' A' ' 114' ' ' ILE . 2.5 pp -83.92 134.93 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.5 mt -94.61 -52.45 4.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.9 p -153.93 147.52 25.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.787 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.466 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.6 OUTLIER -134.07 112.56 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.401 ' CG2' ' H ' ' A' ' 119' ' ' ILE . 2.4 m -131.12 173.7 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.401 ' H ' ' CG2' ' A' ' 118' ' ' THR . 26.1 mm -110.48 127.35 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 25.4 tttp -78.07 -59.3 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -170.19 141.78 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.522 HG22 ' CZ ' ' A' ' 89' ' ' TYR . 11.2 m -118.19 128.06 75.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -137.05 172.77 12.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -130.73 135.72 48.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.81 113.15 25.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -121.86 125.26 46.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.493 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 18.4 mp0 -106.87 96.91 15.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 54.0 Cg_endo -69.75 101.61 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.346 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.7 mtt180 -101.58 163.73 12.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -144.24 120.71 11.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.82 154.02 45.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.4 25.73 14.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 20.2 m -100.24 103.39 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -64.74 123.62 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.425 HG21 ' CD2' ' A' ' 80' ' ' LEU . 20.8 p -63.51 -178.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.21 -55.16 11.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 11.4 pt-20 -61.12 -50.93 71.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 139.57 54.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.439 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.3 t -135.59 117.23 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.402 ' C ' HD22 ' A' ' 32' ' ' LEU . . . -67.04 116.13 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.402 HD22 ' C ' ' A' ' 31' ' ' ALA . 3.9 mm? -115.62 154.87 28.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.616 ' CG2' ' CZ ' ' A' ' 123' ' ' TYR . 17.5 m -114.53 118.27 33.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.449 HG23 ' CG2' ' A' ' 122' ' ' VAL . 63.3 t -126.81 112.08 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.6 m -64.59 -63.95 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.25 152.15 1.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 16.0 t -145.43 129.86 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 111.095 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.36 154.49 42.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -109.76 122.48 47.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.531 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 7.8 p -123.83 158.02 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.37 154.06 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.7 mm -66.44 134.59 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.45 ' CG ' ' HB2' ' A' ' 113' ' ' GLU . 9.4 mtt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.792 0.329 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.429 ' CB ' ' HA3' ' A' ' 111' ' ' GLY . . . -94.64 -20.57 19.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.8 m -63.57 -63.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -69.22 -22.57 63.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -70.05 -31.44 69.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.811 0.339 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.431 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 3.4 m-20 -61.39 -37.99 85.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.2 mp -63.3 -64.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -38.44 -49.27 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -60.52 -57.1 14.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 63' ' ' ASP . 45.9 t -46.64 -58.89 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.17 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.4 t -55.05 -47.15 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.3 tp -58.23 -37.95 75.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -60.67 -45.06 95.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.405 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 75.5 m -55.27 -57.57 11.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.35 -43.0 98.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 76' ' ' LEU . 12.7 mt-10 -62.39 -69.85 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.83 -48.43 0.71 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 71' ' ' THR . 43.0 m-70 -61.33 -44.41 97.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' GLU . 13.9 tp -52.73 -38.8 61.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -67.19 -45.6 76.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 t -63.83 -48.8 75.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.5 mm -59.23 -37.55 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.425 ' CD2' HG21 ' A' ' 26' ' ' THR . 7.7 tt -72.77 -32.04 65.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -61.23 -48.74 84.01 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 t -72.96 -16.05 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.766 0.317 . . . . 0.0 111.133 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.3 mt -102.03 139.53 37.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 57.5 p -84.88 154.17 22.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.0 t -40.53 -56.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -51.64 -58.12 7.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -43.29 -39.34 3.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.413 ' CD1' ' HG ' ' A' ' 80' ' ' LEU . 54.8 mt -65.95 -67.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 90' ' ' GLN . 36.6 m-85 -49.09 -53.08 22.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' TYR . 7.9 mm-40 -37.61 -63.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -126.06 105.95 9.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -76.82 -43.81 35.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -53.79 -46.98 71.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -58.02 -66.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -41.0 -52.41 3.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.87 -44.15 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -57.56 -47.17 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.79 -13.71 4.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.11 -37.7 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.463 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 13.2 ptt180 -76.9 -39.27 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.89 -33.72 74.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.0 p -78.4 -29.29 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.35 -32.7 19.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.492 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -42.51 -59.19 3.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 54.1 Cg_endo -69.72 -8.82 24.58 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.727 2.285 . . . . 0.0 112.345 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.22 -61.29 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.449 ' CB ' ' HE2' ' A' ' 110' ' ' MET . 11.3 m -47.51 -37.63 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -45.14 -28.38 1.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.532 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -61.51 -57.2 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.449 ' HE2' ' CB ' ' A' ' 107' ' ' VAL . 5.2 ptt? -65.02 -33.05 75.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.429 ' HA3' ' CB ' ' A' ' 52' ' ' ALA . . . 116.09 29.62 2.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.531 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 29.3 mm -116.98 138.59 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 111.118 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.45 ' HB2' ' CG ' ' A' ' 43' ' ' MET . 3.5 tp10 -113.96 128.95 56.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.416 ' C ' HD13 ' A' ' 114' ' ' ILE . 2.3 pp -80.49 145.99 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 77.5 mt -102.15 -52.37 3.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.8 p -156.6 161.73 39.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.463 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 2.7 t80 -143.61 126.53 16.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.404 ' CG2' ' H ' ' A' ' 119' ' ' ILE . 4.7 m -146.29 171.1 15.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.404 ' H ' ' CG2' ' A' ' 118' ' ' THR . 46.6 mm -98.33 140.45 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 21.9 tptp -99.87 -69.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.89 143.73 26.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.449 ' CG2' HG23 ' A' ' 34' ' ' VAL . 2.9 p -134.14 129.17 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.616 ' CZ ' ' CG2' ' A' ' 33' ' ' THR . 2.5 p90 -136.86 170.94 15.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.432 HG23 ' CG ' ' A' ' 39' ' ' GLN . 31.1 mt . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.814 0.34 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.439 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 45.4 mtm -101.96 121.2 41.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.8 m -85.29 102.6 13.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 mt -109.97 126.96 54.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -101.99 97.68 8.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.691 0.758 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 79.98 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.693 2.262 . . . . 0.0 112.321 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -95.37 141.24 29.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 p -129.52 124.12 33.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -124.17 143.45 50.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 66.43 49.77 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 35.6 m -119.22 88.71 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -53.76 126.46 22.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.0 p -72.32 -175.08 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.83 -55.19 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 7.8 pt-20 -63.32 -40.43 97.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.446 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 124.38 46.51 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.423 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 86.1 t -122.04 100.26 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.408 ' C ' HD22 ' A' ' 32' ' ' LEU . . . -57.3 115.93 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.423 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 4.1 mm? -116.23 161.16 19.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.43 HG21 ' CE2' ' A' ' 123' ' ' TYR . 0.5 OUTLIER -120.91 108.44 13.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.1 t -112.35 113.51 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.9 m -61.04 -55.77 28.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.74 145.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 24.6 t -148.39 122.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 111.167 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.51 138.8 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.432 ' CG ' HG23 ' A' ' 14' ' ' ILE . 10.8 tt0 -93.42 136.97 33.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.439 ' CG1' ' O ' ' A' ' 15' ' ' MET . 8.4 p -133.91 161.22 41.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' N ' HG22 ' A' ' 40' ' ' VAL . 35.3 pttt -151.35 152.35 33.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.446 ' CD1' HD12 ' A' ' 112' ' ' ILE . 37.5 mm -78.35 121.84 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.2 mtt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 179.88 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.79 -38.24 8.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.8 m -57.28 -57.17 13.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.09 -31.44 72.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.08 -42.09 93.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.912 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.807 0.337 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 64' ' ' ILE . 1.0 OUTLIER -45.89 -61.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' LYS . 5.2 mp -35.59 -67.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 64' ' ' ILE . 36.4 mttt -34.96 -49.46 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -68.32 -55.09 13.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.4 t -44.09 -61.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.2 t -50.89 -50.37 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 tp -56.14 -40.22 73.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -59.26 -37.45 77.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 94.3 m -58.44 -57.07 14.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.1 mt -65.05 -48.05 75.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -49.88 -64.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.34 -59.21 2.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -48.26 -45.76 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.86 0.362 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.2 tp -51.67 -37.98 52.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -68.52 -36.97 79.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 t -69.29 -55.0 11.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.6 mm -56.71 -47.02 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.19 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.32 -44.73 88.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.967 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.75 -55.61 11.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.0 t -63.24 -24.62 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.328 . . . . 0.0 111.166 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -91.35 124.24 35.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.1 p -65.35 153.89 39.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 86' ' ' GLU . 6.2 p -52.56 -43.77 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.416 ' N ' HG12 ' A' ' 85' ' ' VAL . 21.0 mp0 -56.71 -59.83 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -44.4 -56.05 4.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.0 mt -40.91 -58.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -57.93 -57.87 10.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -44.65 -61.84 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.32 90.5 3.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -88.64 -29.68 19.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.3 -44.86 68.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -69.07 -42.53 76.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -48.46 -40.92 27.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.1 -45.37 88.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -53.87 -43.34 69.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.59 -37.06 75.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.482 HG11 ' CE2' ' A' ' 117' ' ' PHE . 41.8 t -66.01 -61.93 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.457 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 4.9 ptm180 -58.61 -26.97 64.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -73.43 -39.73 64.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 103' ' ' ALA . 10.3 p -80.57 -23.43 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.445 ' N ' HG12 ' A' ' 102' ' ' VAL . . . -90.63 -39.17 12.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.467 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -37.89 -60.72 0.9 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 54.1 Cg_endo -69.74 -16.15 37.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.305 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 103' ' ' ALA . 12.3 t70 -80.29 -60.48 2.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.9 m -44.87 -37.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.61 -34.07 9.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.5 ptt85 -55.26 -43.65 74.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -83.8 -31.96 25.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 115.23 25.07 3.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.446 HD12 ' CD1' ' A' ' 42' ' ' ILE . 14.8 mm -107.46 132.28 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.068 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -107.27 132.38 53.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.423 ' C ' HD13 ' A' ' 114' ' ' ILE . 2.2 pp -92.09 137.2 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -87.27 -55.2 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 m -158.48 172.57 18.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.482 ' CE2' HG11 ' A' ' 99' ' ' VAL . 1.0 OUTLIER -147.57 131.17 16.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.403 ' CG2' ' H ' ' A' ' 119' ' ' ILE . 2.5 m -149.7 173.36 13.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.403 ' H ' ' CG2' ' A' ' 118' ' ' THR . 49.8 mm -107.69 134.09 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.404 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 25.0 tptt -90.89 -62.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -163.44 134.91 4.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.12 133.52 68.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.43 ' CE2' HG21 ' A' ' 33' ' ' THR . 2.0 p90 -136.83 172.8 12.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.799 0.333 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -112.09 140.39 46.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.2 m -97.66 101.2 12.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -110.96 117.43 33.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.9 97.53 13.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.933 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 53.5 Cg_endo -69.82 102.14 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -108.54 154.24 22.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.0 m -141.44 124.97 16.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 61.0 mt-10 -119.96 158.27 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.5 p-10 46.61 52.04 11.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.3 m -117.82 90.68 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HA ' ' C ' ' A' ' 30' ' ' VAL . 47.1 mt-10 -53.51 126.46 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.46 HG21 ' CD2' ' A' ' 80' ' ' LEU . 41.2 p -71.37 -175.86 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -45.22 -57.15 4.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' CD ' HG23 ' A' ' 30' ' ' VAL . 5.5 pt-20 -62.57 -30.92 71.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.38 40.15 0.75 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.516 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.413 HG11 ' CD2' ' A' ' 32' ' ' LEU . 88.9 t -116.07 115.6 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.423 ' C ' HD22 ' A' ' 32' ' ' LEU . . . -63.7 121.36 13.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD21 ' CG2' ' A' ' 26' ' ' THR . 4.1 mm? -118.24 159.32 23.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.409 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 57.3 m -126.54 105.76 8.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.7 t -116.42 109.25 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 m -55.58 -52.95 62.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.42 137.19 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.6 t -145.62 121.69 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.58 155.05 45.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.059 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -112.34 133.04 54.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 p -129.34 161.49 38.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -153.88 143.05 21.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.55 125.11 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.4 mtt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.897 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.829 0.347 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.464 ' O ' ' CD2' ' A' ' 56' ' ' PHE . . . -108.03 -32.97 7.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.89 -25.6 67.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -80.8 -33.31 34.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.466 ' HG3' ' CD1' ' A' ' 56' ' ' PHE . 3.8 pt20 -81.18 -3.74 53.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 55' ' ' GLN . 21.3 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.468 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 43.0 mt-30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.811 0.338 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.25 -47.54 64.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.457 HG13 ' CD1' ' A' ' 56' ' ' PHE . 4.2 mp -60.79 -53.12 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -53.26 -38.09 62.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 62' ' ' GLN . 40.2 m-20 -71.46 -64.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.5 t -39.36 -58.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.0 t -54.48 -47.52 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 tp -56.34 -45.79 80.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -50.55 -52.37 39.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.45 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 57.9 m -44.42 -60.22 2.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.8 mt -63.82 -58.62 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -37.4 -61.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.46 -50.4 30.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 71' ' ' THR . 66.8 m-70 -54.98 -38.66 68.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.3 tp -59.46 -47.03 87.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.7 ttp-105 -60.1 -49.85 76.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 t -58.52 -56.2 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.0 mm -55.44 -29.38 23.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.46 ' CD2' HG21 ' A' ' 26' ' ' THR . 2.5 tt -75.48 -47.04 28.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -54.01 -56.24 21.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -55.57 -40.43 71.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.5 mt -75.95 158.7 31.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' VAL . 18.7 p -97.68 138.74 34.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' THR . 2.5 p -37.67 -36.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -49.24 74.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -61.59 -36.6 81.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.411 ' CD1' HD22 ' A' ' 80' ' ' LEU . 82.6 mt -62.68 -49.45 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.512 ' CE1' HG21 ' A' ' 122' ' ' VAL . 11.6 m-85 -69.52 -45.07 69.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 89' ' ' TYR . 23.7 mm-40 -35.12 -62.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.89 106.84 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -68.03 -43.02 79.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -50.53 -54.1 25.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -60.08 -46.85 88.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -48.29 -58.76 4.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.524 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -55.64 -41.04 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -48.33 -35.23 11.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.84 -33.89 66.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.497 HG13 ' CE2' ' A' ' 117' ' ' PHE . 45.3 t -69.76 -47.07 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.472 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 25.9 ptt180 -71.7 -21.69 61.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.426 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 17.3 mt-10 -79.35 -39.79 31.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.402 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 11.0 p -79.25 -20.55 12.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -93.02 -36.74 12.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.514 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -42.75 -58.44 3.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 52.5 Cg_endo -69.79 -12.38 32.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.271 . . . . 0.0 112.306 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 102' ' ' VAL . 1.1 m-20 -86.19 -62.01 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.473 HG13 ' CE ' ' A' ' 110' ' ' MET . 4.1 m -43.79 -41.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.78 -34.39 1.86 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.545 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -52.69 -53.76 43.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.473 ' CE ' HG13 ' A' ' 107' ' ' VAL . 5.8 ptt? -71.47 -37.01 71.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.95 34.07 1.01 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.453 ' CG1' ' SD ' ' A' ' 110' ' ' MET . 47.9 mm -118.74 140.44 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 111.061 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -115.36 126.16 54.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.422 HD11 ' C ' ' A' ' 114' ' ' ILE . 2.4 pp -78.15 142.72 13.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.8 mt -94.01 -48.64 6.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.4 t -167.44 163.95 14.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.524 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -142.14 122.28 13.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.932 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.6 m -136.01 175.67 9.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 49.0 mm -118.55 122.75 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -74.33 -61.4 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -156.44 143.8 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.512 HG21 ' CE1' ' A' ' 89' ' ' TYR . 2.7 p -129.77 121.94 53.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.409 ' CE2' ' CG2' ' A' ' 33' ' ' THR . 3.2 p90 -137.07 165.08 26.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.5 mt . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.79 0.329 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.448 ' CG ' HG11 ' A' ' 40' ' ' VAL . 3.1 ptt? -99.36 129.87 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.2 m -93.66 112.95 24.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.7 mt -114.2 123.21 49.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -102.61 97.57 9.31 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.729 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 87.21 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.617 2.211 . . . . 0.0 112.346 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -101.69 142.87 32.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.2 m -133.4 121.33 22.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.48 141.83 48.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t0 71.35 52.21 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.09 94.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.419 ' HA ' ' C ' ' A' ' 30' ' ' VAL . 29.6 mt-10 -56.15 121.03 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 p -60.67 -176.55 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -47.02 -57.68 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.54 -53.69 55.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 143.32 51.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.419 ' C ' ' HA ' ' A' ' 25' ' ' GLU . 23.6 t -129.67 107.84 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 111.11 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.416 ' C ' HD22 ' A' ' 32' ' ' LEU . . . -62.96 111.85 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.438 HD21 ' CG2' ' A' ' 85' ' ' VAL . 4.0 mm? -111.06 165.72 11.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 123' ' ' TYR . 0.8 OUTLIER -125.81 115.64 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.081 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.4 t -123.92 125.17 70.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.5 m -75.32 -61.71 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.23 136.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.5 t -135.5 128.32 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.26 152.67 37.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.072 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -109.24 145.21 36.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.448 HG11 ' CG ' ' A' ' 15' ' ' MET . 9.9 p -146.82 159.69 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.169 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HG2' ' CD2' ' A' ' 115' ' ' LEU . 12.7 pttt -156.95 151.15 25.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.458 HG13 ' CD1' ' A' ' 112' ' ' ILE . 1.3 mp -73.92 119.09 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.07 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 31.6 mtm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.913 179.74 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 52' ' ' ALA . 7.3 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.814 0.34 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.426 ' N ' HG12 ' A' ' 51' ' ' VAL . . . -102.98 -28.19 12.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.79 -66.89 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -65.85 -33.9 76.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -57.02 -35.19 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 64' ' ' ILE . 2.2 m-20 -49.27 -59.21 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 63' ' ' ASP . 2.9 mp -35.75 -67.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -38.75 -51.73 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' VAL . 23.5 m-80 -63.15 -62.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' ASN . 73.6 t -37.11 -50.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.8 t -66.16 -59.89 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 tp -45.62 -33.19 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -64.8 -40.46 95.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.497 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 19.7 m -58.26 -53.65 55.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.9 mt -67.1 -40.82 87.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -61.04 -44.54 97.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.24 -43.36 99.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 71' ' ' THR . 90.4 m-70 -65.51 -43.66 89.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 tp -50.6 -51.95 43.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -48.24 71.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.5 t -58.28 -57.98 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.7 mm -55.24 -30.46 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 tt -73.84 -57.85 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -47.72 -61.28 4.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.8 t -53.07 -18.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 0.0 111.081 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.9 mt -97.81 163.76 12.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 85' ' ' VAL . 64.9 p -106.5 140.08 39.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 84' ' ' THR . 16.7 t -33.94 -52.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -51.08 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -38.3 -49.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 58.2 mt -51.79 -52.93 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 90' ' ' GLN . 18.6 m-85 -62.74 -56.88 13.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 89' ' ' TYR . 5.6 mm-40 -35.75 -60.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.23 101.72 7.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -76.72 -56.64 4.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -47.83 -43.35 27.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -60.12 -47.1 87.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -48.87 -58.97 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.474 ' HB3' ' CD1' ' A' ' 117' ' ' PHE . . . -56.08 -40.32 73.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 32.5 ttmt -53.11 -33.74 53.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.1 mt -72.44 -45.54 59.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.6 -42.69 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.414 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 7.6 ptm180 -72.62 -27.2 62.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 97' ' ' LYS . 4.8 mm-40 -75.15 -36.53 61.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 103' ' ' ALA . 8.3 p -82.37 -24.88 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.465 ' N ' HG13 ' A' ' 102' ' ' VAL . . . -89.6 -30.55 18.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.48 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -47.57 -60.19 4.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.681 0.753 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 54.3 Cg_endo -69.74 -2.47 10.21 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.653 2.235 . . . . 0.0 112.398 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.47 -54.87 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 19.1 m -55.56 -31.22 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.84 -23.35 37.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -65.76 -50.76 63.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -70.82 -35.01 72.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 123.68 19.32 2.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.458 ' CD1' HG13 ' A' ' 42' ' ' ILE . 18.0 mm -113.03 142.93 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 111.159 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -118.97 134.76 54.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.418 HD11 ' C ' ' A' ' 114' ' ' ILE . 2.3 pp -81.92 134.91 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 115' ' ' LEU . 4.0 mm? -85.94 -53.4 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.3 m -161.19 167.89 25.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 96' ' ' ALA . 0.4 OUTLIER -146.04 125.43 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.8 m -139.68 173.56 11.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.9 mm -113.23 115.52 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -77.21 -72.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.76 148.81 52.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 29.3 t -142.74 105.04 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.478 ' N ' ' CD1' ' A' ' 123' ' ' TYR . 1.0 OUTLIER -127.25 170.47 12.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 179.9 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 15' ' ' MET . 65.4 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.841 0.353 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.458 ' N ' HG22 ' A' ' 14' ' ' ILE . 22.3 mtm -120.69 138.91 53.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -103.9 105.56 15.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -115.13 131.63 56.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.408 ' CD ' ' N ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -117.73 97.39 50.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.521 0.677 . . . . 0.0 110.914 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 112.9 3.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.639 2.226 . . . . 0.0 112.367 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -112.87 144.41 42.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -135.45 116.23 14.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' CB ' HG21 ' A' ' 33' ' ' THR . 12.0 pt-20 -122.17 152.2 40.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 60.69 47.01 8.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.463 HG13 ' CG ' ' A' ' 77' ' ' ARG . 18.6 m -116.68 91.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -51.27 113.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.8 p -62.71 -178.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.15 -54.39 31.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -59.16 -32.82 70.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 115.41 51.03 0.44 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.2 t -137.14 120.55 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.55 124.47 24.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -121.2 165.79 14.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.448 HG21 ' CB ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -131.21 110.59 11.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 80.3 t -121.09 111.19 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.6 m -57.31 -53.9 52.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.03 138.31 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.458 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.6 t -145.91 128.17 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.8 149.34 36.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -105.31 124.42 49.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.829 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 p -121.16 162.16 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.02 149.96 20.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.3 mm -67.01 139.39 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.4 mtm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.803 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.872 0.367 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.33 -34.16 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.167 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -46.15 -68.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.43 -10.8 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -83.6 -22.18 32.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.54 ' CE1' HG23 ' A' ' 64' ' ' ILE . 19.0 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -59.13 -66.82 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.54 HG23 ' CE1' ' A' ' 56' ' ' PHE . 5.0 mp -41.55 -58.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -45.1 -41.85 8.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -64.34 -56.69 12.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.5 t -47.14 -61.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.441 ' CG2' HG13 ' A' ' 112' ' ' ILE . 59.5 t -58.76 -48.71 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.75 -39.67 58.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -58.42 -54.36 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.547 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 38.0 m -42.46 -54.03 4.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.467 HD22 ' CB ' ' A' ' 103' ' ' ALA . 68.4 mt -66.09 -54.86 20.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -46.65 -66.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -36.91 -54.5 1.46 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.425 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 71' ' ' THR . 75.1 m-70 -53.24 -52.55 58.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.7 tp -39.37 -53.78 1.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.463 ' CG ' HG13 ' A' ' 24' ' ' VAL . 3.7 tmm_? -61.01 -41.23 96.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.8 m -62.01 -58.82 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.4 mm -57.01 -25.14 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 tt -80.49 -39.22 28.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.76 -49.0 73.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 t -68.33 -23.76 64.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.798 0.332 . . . . 0.0 111.174 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -93.47 160.7 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -95.99 166.13 11.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.5 p -64.75 -42.8 95.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -61.36 -38.17 85.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -64.56 -50.34 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.0 mt -50.17 -39.3 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' GLN . 14.3 m-85 -76.15 -48.23 21.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' TYR . 4.6 mm100 -35.3 -62.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -144.6 107.23 4.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -75.54 -41.71 54.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -46.76 -42.54 17.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -68.81 -43.79 74.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -52.39 -63.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -45.54 -46.56 14.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -47.65 -40.96 21.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.8 mt -70.73 -39.56 73.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.525 HG12 ' CE2' ' A' ' 117' ' ' PHE . 61.3 t -64.16 -37.21 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -80.68 -24.34 38.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 8.8 mt-10 -76.08 -40.32 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.477 HG11 ' CG ' ' A' ' 75' ' ' HIS . 7.1 p -73.88 -25.08 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.467 ' CB ' HD22 ' A' ' 72' ' ' LEU . . . -94.41 -39.57 10.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.466 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -33.4 -60.24 0.43 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 111.069 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.7 Cg_endo -69.74 -28.33 25.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.317 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 103' ' ' ALA . 27.4 t0 -64.78 -54.94 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.468 ' HA ' ' CE ' ' A' ' 110' ' ' MET . 19.7 m -59.66 -38.47 75.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.402 ' N ' HG22 ' A' ' 107' ' ' VAL . . . -45.22 -31.66 3.24 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.441 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 109' ' ' ARG . 17.0 mtp-105 -65.21 -46.73 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 107' ' ' VAL . 3.4 mpp? -71.18 -36.49 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 122.73 12.04 5.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.441 HG13 ' CG2' ' A' ' 68' ' ' VAL . 44.4 mm -105.42 136.9 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.773 0.321 . . . . 0.0 111.107 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -112.25 146.59 37.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.466 ' N ' ' HG2' ' A' ' 113' ' ' GLU . 2.0 pp -99.95 135.59 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.2 mt -91.14 -54.6 3.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 35.1 m -157.19 160.9 39.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.525 ' CE2' HG12 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -139.09 119.39 13.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.4 m -125.49 173.73 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 37.3 mm -119.26 103.85 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 31.0 tttm -54.68 -71.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -144.22 159.56 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.4 p -145.34 117.65 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.182 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -133.16 161.72 33.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.1 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.785 0.326 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -106.63 137.33 44.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.428 ' OG1' ' NE2' ' A' ' 39' ' ' GLN . 32.0 m -96.68 114.67 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.433 ' CD2' ' HB ' ' A' ' 68' ' ' VAL . 6.0 mp -110.65 129.34 55.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -103.43 97.61 10.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.707 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 54.0 Cg_endo -69.75 80.52 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.624 2.216 . . . . 0.0 112.373 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' CB ' ' HA ' ' A' ' 35' ' ' THR . 39.1 ptt180 -102.35 147.18 27.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 t -143.63 141.41 30.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.64 147.94 51.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 73.29 38.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 27.3 m -111.24 95.82 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -52.1 130.43 30.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.464 HG22 ' CG2' ' A' ' 85' ' ' VAL . 3.2 p -74.14 -178.88 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.26 -57.83 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -62.01 -30.77 71.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.95 55.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 t -136.47 111.48 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.425 ' C ' HD22 ' A' ' 32' ' ' LEU . . . -64.8 113.87 4.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD22 ' C ' ' A' ' 31' ' ' ALA . 4.1 mm? -116.57 165.18 13.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 m -122.6 108.93 13.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.44 HG21 ' CG1' ' A' ' 122' ' ' VAL . 84.8 t -112.96 121.79 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.407 ' HA ' ' CB ' ' A' ' 20' ' ' ARG . 4.5 m -72.39 -61.94 1.62 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.69 144.43 0.4 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.41 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 41.6 t -144.4 114.78 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 0.0 111.067 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.97 141.96 42.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.083 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.428 ' NE2' ' OG1' ' A' ' 16' ' ' THR . 5.9 tp60 -94.07 148.05 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.456 HG23 ' CG2' ' A' ' 112' ' ' ILE . 2.3 p -145.11 160.07 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.174 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.54 158.3 33.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.975 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.548 ' CD1' ' CD1' ' A' ' 112' ' ' ILE . 28.7 mm -84.12 149.13 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.472 ' SD ' ' N ' ' A' ' 113' ' ' GLU . 2.1 mpp? . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.916 0.389 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.41 -5.76 23.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.551 ' HG ' ' N ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -70.38 -34.54 72.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.551 ' N ' ' HG ' ' A' ' 53' ' ' CYS . 8.9 tp10 -90.55 -27.07 19.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -66.94 -26.48 66.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.438 ' CD1' HG13 ' A' ' 64' ' ' ILE . 9.8 m-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -48.93 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 67' ' ' VAL . 2.9 mp -52.28 -70.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -39.73 -48.19 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -60.54 -37.5 81.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' ILE . 65.0 t -64.64 -57.68 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.433 ' HB ' ' CD2' ' A' ' 17' ' ' LEU . 74.4 t -59.08 -35.37 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.7 tp -71.11 -38.41 72.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.981 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -57.58 -37.88 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 m -64.04 -53.97 41.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 99.1 mt -67.75 -58.41 4.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -45.55 -44.85 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.6 -60.36 9.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.406 ' ND1' HG22 ' A' ' 102' ' ' VAL . 36.9 m-70 -47.71 -43.13 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.808 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.423 ' CD1' HG22 ' A' ' 99' ' ' VAL . 10.0 tp -45.55 -56.24 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -56.6 -43.93 80.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -55.59 -48.63 74.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.8 mm -70.28 -58.68 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.463 ' CD2' HG21 ' A' ' 26' ' ' THR . 2.1 tt -39.86 -37.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.76 -58.71 9.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -76.31 1.14 16.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 111.174 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.438 ' C ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -101.43 118.41 36.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' VAL . 45.1 p -72.78 136.17 45.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.464 ' CG2' HG22 ' A' ' 26' ' ' THR . 18.3 t -37.73 -61.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -39.11 -63.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -46.53 -51.36 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.5 mt -48.63 -54.0 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -62.22 -54.29 43.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -39.56 -65.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.41 109.98 13.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -81.27 -46.67 14.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -48.66 -54.92 12.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -51.11 -49.53 60.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -45.78 -64.34 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -49.11 -54.45 16.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' ALA . 16.6 ttmm -35.48 -40.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.41 -47.34 56.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 96' ' ' ALA . 46.4 t -58.34 -33.49 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.468 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 26.7 ptt180 -85.07 -29.39 24.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -71.87 -35.07 69.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.406 HG22 ' ND1' ' A' ' 75' ' ' HIS . 7.1 p -81.65 -31.04 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -85.45 -35.64 21.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.465 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -36.26 -60.33 0.72 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 111.097 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.9 Cg_endo -69.75 -18.44 37.05 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' ALA . 5.6 t70 -77.41 -56.2 4.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.462 HG12 ' CE ' ' A' ' 110' ' ' MET . 8.8 m -50.17 -42.14 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.92 -30.62 5.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.433 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -56.77 -56.44 21.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.462 ' CE ' HG12 ' A' ' 107' ' ' VAL . 10.0 ptt? -68.46 -33.38 74.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 120.77 28.1 1.79 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.548 ' CD1' ' CD1' ' A' ' 42' ' ' ILE . 29.7 mm -118.39 142.76 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.726 0.298 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.472 ' N ' ' SD ' ' A' ' 43' ' ' MET . 14.5 tt0 -118.61 127.98 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.414 ' O ' ' CD1' ' A' ' 114' ' ' ILE . 2.4 pp -77.57 130.96 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 67.5 mt -86.77 -57.23 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.9 m -153.33 149.25 27.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.468 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -130.97 119.97 22.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.822 -179.892 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.23 175.96 8.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 15.2 mm -111.6 134.44 53.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.41 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 3.3 tppp? -88.09 -73.44 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -159.03 136.36 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.44 ' CG1' HG21 ' A' ' 34' ' ' VAL . 26.0 m -114.91 125.98 72.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -137.1 166.83 22.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 124' ' ' ASP . 20.3 p-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.79 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.4 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.85 0.357 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -131.18 134.16 46.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.9 m -86.79 105.18 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -98.89 121.02 40.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -104.0 97.44 11.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.54 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 54.3 Cg_endo -69.71 80.24 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.392 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -98.62 150.29 21.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.1 p -139.66 145.86 38.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 9.0 mm-40 -130.46 156.96 43.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.6 p-10 46.85 54.06 9.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 32.6 m -116.72 84.89 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -42.18 135.49 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -74.27 -175.83 2.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.095 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 81' ' ' GLY . . . -58.15 -36.83 73.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -80.64 -47.66 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.7 49.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.7 t -137.07 113.17 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.414 ' C ' HD21 ' A' ' 32' ' ' LEU . . . -65.99 129.64 40.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.439 HD23 ' CG2' ' A' ' 85' ' ' VAL . 4.0 mm? -126.5 163.42 23.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.7 m -119.48 102.57 8.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.452 HG23 ' CG1' ' A' ' 122' ' ' VAL . 71.9 t -108.14 111.22 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 m -64.61 -61.37 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.25 148.97 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.475 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 14.0 t -145.93 124.17 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 111.112 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.6 135.68 28.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.033 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -95.83 126.63 41.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.1 p -127.06 162.68 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.31 155.1 33.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.4 mm -67.37 135.31 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.2 mtm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.847 0.356 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.84 -43.62 44.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.9 m -49.0 -54.31 16.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.6 20.02 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -124.96 -24.08 4.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 64' ' ' ILE . 11.2 m-20 -45.46 -60.06 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 65' ' ' LYS . 2.5 mp -36.76 -66.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 64' ' ' ILE . 12.8 mptt -36.21 -53.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -63.36 -42.88 98.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.69 -59.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.2 t -53.72 -30.86 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.424 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 47.6 tp -72.34 -43.31 64.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -53.11 -36.21 60.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 99.3 m -62.68 -59.84 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.85 -57.24 7.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -45.44 -50.43 12.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.51 -66.08 3.09 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -44.43 -47.09 9.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.798 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.4 tp -39.44 -55.79 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 77' ' ' ARG . 8.1 mtp-105 -48.82 -68.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 t -40.78 -42.78 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.6 mm -70.29 -36.8 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 77' ' ' ARG . 6.7 tt -69.74 -35.82 75.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 27' ' ' ALA . . . -60.35 -53.62 44.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.438 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 t -60.5 -20.34 59.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.342 . . . . 0.0 111.154 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 95' ' ' PHE . 21.1 mt -99.92 145.81 27.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' VAL . 69.8 p -94.99 150.14 20.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.439 ' CG2' HD23 ' A' ' 32' ' ' LEU . 24.8 t -34.73 -65.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' GLN . 26.8 mt-10 -41.35 -69.01 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' GLU . 63.2 mt-30 -37.47 -53.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.4 mt -47.95 -49.14 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.061 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.511 ' CZ ' HG23 ' A' ' 122' ' ' VAL . 38.6 m-85 -68.57 -50.64 50.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' TYR . 3.7 mm-40 -34.8 -64.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -130.7 117.9 20.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' ASP . 10.0 mmt85 -79.92 -62.72 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.8 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -34.9 -56.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -49.34 -61.18 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.452 ' CD1' HD12 ' A' ' 83' ' ' LEU . 10.8 t80 -40.92 -58.88 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.959 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.78 -50.48 72.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.405 ' O ' ' OE2' ' A' ' 101' ' ' GLU . 22.4 ttmt -40.92 -39.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.99 -41.24 74.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.72 -42.59 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.409 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 12.9 ptm180 -75.64 -36.27 60.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -63.98 -31.13 72.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.2 p -87.84 -25.85 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.22 -21.8 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.076 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.485 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -55.45 -59.27 11.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.569 0.699 . . . . 0.0 111.083 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.6 Cg_endo -69.77 -15.0 36.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.588 2.192 . . . . 0.0 112.378 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.76 -63.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.462 HG11 ' CE ' ' A' ' 110' ' ' MET . 4.4 m -45.5 -35.24 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.87 -33.97 14.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 -55.82 -54.76 40.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.737 0.303 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.462 ' CE ' HG11 ' A' ' 107' ' ' VAL . 1.3 ptt? -66.52 -36.04 81.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 120.96 26.73 2.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.523 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 38.2 mm -115.76 140.1 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.798 0.333 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -118.58 131.16 56.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.408 HD11 ' C ' ' A' ' 114' ' ' ILE . 2.5 pp -82.68 137.59 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.0 mt -95.87 -51.29 4.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.1 t -154.7 153.07 30.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.54 ' CZ ' ' HG3' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -137.23 117.45 13.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.837 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.8 m -132.17 173.93 10.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 49.5 mm -109.61 122.16 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.414 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -73.8 -66.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -164.91 140.0 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.511 HG23 ' CZ ' ' A' ' 89' ' ' TYR . 31.2 m -119.39 124.0 72.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -137.16 171.04 15.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.852 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.451 ' CG2' ' HG3' ' A' ' 39' ' ' GLN . 11.5 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.865 0.364 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -101.63 126.44 48.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.9 m -85.68 104.96 15.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.067 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 52.6 mt -112.05 113.27 25.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.6 99.28 9.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.551 0.691 . . . . 0.0 110.951 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 95.64 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -107.41 138.48 43.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 t -129.22 144.93 51.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -129.78 142.02 50.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.92 53.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 29.9 m -118.88 100.21 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -60.76 132.2 53.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.464 HG21 ' CD2' ' A' ' 80' ' ' LEU . 48.4 p -76.03 172.23 13.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.19 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.476 ' CA ' ' O ' ' A' ' 81' ' ' GLY . . . -34.52 -63.47 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.071 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -56.16 -52.12 65.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 141.83 44.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.3 t -120.63 116.88 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 111.078 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.13 118.34 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -118.87 160.78 21.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.574 ' CG2' ' CZ ' ' A' ' 123' ' ' TYR . 21.4 m -119.76 101.73 8.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.461 ' CG2' HG13 ' A' ' 122' ' ' VAL . 58.3 t -108.31 122.74 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.6 m -72.87 -48.09 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.7 146.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 6.0 t -151.36 124.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.26 160.43 40.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.451 ' HG3' ' CG2' ' A' ' 14' ' ' ILE . 5.5 tp60 -114.46 147.63 39.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.9 p -146.67 159.31 10.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -149.51 155.25 40.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.3 mm -79.82 117.28 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.6 mtt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.807 179.838 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.805 0.336 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.02 16.3 21.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.0 m -94.26 -12.69 27.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.86 -16.17 7.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 56' ' ' PHE . 2.0 pt20 -66.73 -13.14 61.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.557 ' CZ ' ' OE1' ' A' ' 55' ' ' GLN . 22.5 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.852 0.358 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.23 -48.29 80.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.546 HG13 ' CD1' ' A' ' 56' ' ' PHE . 3.3 mp -49.02 -69.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' ILE . 2.9 mptt -34.79 -44.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -63.22 -45.27 92.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' ILE . 88.0 t -55.95 -55.8 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.1 -48.21 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 tp -56.82 -34.96 68.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -61.51 -50.13 73.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.3 m -48.14 -48.49 34.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.452 HD22 ' CB ' ' A' ' 103' ' ' ALA . 70.2 mt -71.68 -37.97 70.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 74' ' ' GLY . 16.3 mt-10 -63.84 -67.15 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -35.74 -50.33 1.07 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.445 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' LEU . 52.3 m-70 -63.05 -45.79 90.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.359 . . . . 0.0 110.827 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' HIS . 6.5 tp -36.84 -65.19 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -50.42 -52.62 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 m -51.08 -35.97 37.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.1 mm -79.32 -38.75 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.464 ' CD2' HG21 ' A' ' 26' ' ' THR . 1.9 tt -66.46 -32.27 73.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.476 ' O ' ' CA ' ' A' ' 27' ' ' ALA . . . -66.68 -57.09 10.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.543 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 t -56.74 -30.9 64.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.792 0.33 . . . . 0.0 111.082 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.1 mt -92.74 138.35 31.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 76.0 p -73.54 153.32 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.428 ' HA ' ' CD1' ' A' ' 88' ' ' ILE . 1.0 OUTLIER -53.54 -48.64 58.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.59 -54.11 37.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -47.9 -45.34 30.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.428 ' CD1' ' HA ' ' A' ' 85' ' ' VAL . 19.1 mt -52.6 -53.55 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' GLN . 38.8 m-85 -61.9 -56.29 20.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' TYR . 6.6 mm-40 -35.48 -64.19 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -127.78 83.58 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -53.25 -43.85 67.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -51.04 -41.24 59.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -55.02 -69.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -40.26 -48.26 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.79 -40.82 66.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -69.82 -43.41 72.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 98' ' ' LEU . 3.5 mm? -47.21 -37.51 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 t -76.32 -65.13 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -48.3 -23.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.835 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -74.91 -37.22 62.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.2 p -85.4 -26.23 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -84.56 -46.39 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.47 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -33.68 -60.62 0.43 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.496 0.665 . . . . 0.0 111.066 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 54.0 Cg_endo -69.78 -22.22 32.29 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.73 2.287 . . . . 0.0 112.372 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 103' ' ' ALA . 5.5 t0 -74.41 -59.56 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 24.0 m -54.55 -21.49 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.53 -40.94 99.27 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.593 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.7 mtt-85 -58.8 -39.94 82.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.3 mtm -72.69 -43.75 62.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.11 24.36 1.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.7 mm -121.87 141.3 42.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.725 0.298 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -114.75 136.87 52.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.9 pp -91.69 143.5 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -89.81 -51.83 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.9 t -166.29 173.96 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -144.95 134.42 23.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.7 m -150.25 171.33 17.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 14.9 mm -103.47 140.85 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 27.3 tttm -97.02 -53.39 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -166.2 135.74 3.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.461 HG13 ' CG2' ' A' ' 34' ' ' VAL . 34.0 m -128.21 125.07 63.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.574 ' CZ ' ' CG2' ' A' ' 33' ' ' THR . 34.1 p90 -137.35 174.47 10.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.6 t0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.783 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 15' ' ' MET . 56.0 mt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.802 0.334 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.441 ' N ' HG23 ' A' ' 14' ' ' ILE . 56.6 mtm -123.06 139.7 53.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -99.92 105.35 17.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.462 HD13 ' N ' ' A' ' 17' ' ' LEU . 10.8 mp -111.01 119.88 40.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -102.43 97.44 8.84 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.962 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.47 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 53.9 Cg_endo -69.75 107.02 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -117.54 157.23 26.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -143.89 134.48 24.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.44 ' HG2' ' CG2' ' A' ' 33' ' ' THR . 69.0 mt-10 -129.58 143.55 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t70 65.84 51.69 1.36 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.0 m -120.93 100.66 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.89 132.4 53.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.446 HG22 ' CG2' ' A' ' 85' ' ' VAL . 2.2 p -71.7 -175.89 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 81' ' ' GLY . . . -59.58 -38.06 80.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -76.46 -42.19 44.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.66 54.71 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.523 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.8 t -142.88 119.5 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.33 125.01 25.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -126.68 161.89 27.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.531 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 25.0 m -120.71 125.79 48.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.51 112.75 23.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.9 m -57.19 -58.63 7.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.73 133.66 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.8 t -138.97 120.34 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.843 0.354 . . . . 0.0 111.052 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.38 131.92 27.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -87.55 142.37 27.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p -138.49 165.42 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -157.05 138.82 14.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 112' ' ' ILE . 45.9 mm -63.49 129.98 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.3 mtm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.824 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 52' ' ' ALA . 7.5 p . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.87 0.367 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.543 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . . . -111.99 -35.05 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.3 t -41.16 -68.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.59 -42.77 99.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -48.89 -40.48 30.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.543 ' CE2' ' HB2' ' A' ' 52' ' ' ALA . 24.2 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.758 0.313 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD1' ' CG2' ' A' ' 67' ' ' VAL . 48.1 t0 -39.27 -55.81 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 67' ' ' VAL . 5.3 mp -41.51 -67.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' ILE . 70.8 mttt -36.53 -41.7 0.31 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -76.49 -38.79 54.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 64' ' ' ILE . 78.9 t -60.85 -58.18 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.28 -38.86 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.18 -48.49 81.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -55.85 -32.87 64.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 86.7 m -60.79 -63.4 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.5 mt -62.3 -41.62 98.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -57.79 -62.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.66 -49.49 4.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.417 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -59.57 -44.1 93.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.3 tp -48.6 -54.11 15.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 36.3 mtm-85 -46.8 -59.76 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -53.67 -54.65 34.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.3 mm -53.17 -33.04 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 tt -75.08 -42.13 57.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 27' ' ' ALA . . . -55.19 -58.32 14.32 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.518 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -52.87 -26.64 15.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.172 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.39 143.61 27.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 72.1 p -90.75 154.17 19.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.446 ' CG2' HG22 ' A' ' 26' ' ' THR . 50.8 t -41.06 -44.07 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -57.67 -57.47 12.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -52.19 -43.93 64.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 74.0 mt -50.97 -62.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' GLN . 59.0 m-85 -61.0 -49.59 76.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' TYR . 13.7 mt-30 -35.97 -65.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.52 105.51 8.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.82 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.4 mtt85 -78.76 -49.89 12.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -46.15 -51.19 14.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 97' ' ' LYS . 20.4 tt0 -59.64 -55.98 27.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -40.5 -46.58 2.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.96 -36.17 77.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 94' ' ' GLN . 16.9 ttmm -61.23 -47.23 87.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.7 mp -53.57 -24.16 12.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.508 HG12 ' CE2' ' A' ' 117' ' ' PHE . 43.6 t -83.37 -63.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.227 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -52.11 -28.32 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 5.5 mm-40 -72.04 -50.59 27.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.24 -26.01 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -85.51 -42.8 14.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.46 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -33.37 -60.56 0.41 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.575 0.702 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.7 Cg_endo -69.74 -23.72 30.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.743 2.295 . . . . 0.0 112.286 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 103' ' ' ALA . 22.4 t0 -72.81 -59.08 2.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.9 m -46.59 -44.18 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -38.79 -31.01 0.11 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.551 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 21.9 mtp85 -57.21 -56.75 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -70.16 -33.03 71.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 114.97 35.78 1.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.421 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.461 ' CD1' HD12 ' A' ' 42' ' ' ILE . 31.4 mm -122.43 139.74 48.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.817 0.342 . . . . 0.0 111.091 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -114.01 132.13 56.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.428 ' C ' HD13 ' A' ' 114' ' ' ILE . 2.1 pp -81.15 141.35 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.8 mt -99.75 -45.13 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.8 m -168.48 150.62 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.508 ' CE2' HG12 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -133.37 103.53 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.2 m -121.73 166.49 14.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 31.7 mm -97.0 149.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.68 -73.87 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -139.15 155.35 47.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.8 t -146.11 125.83 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.531 ' CE2' ' CG2' ' A' ' 33' ' ' THR . 3.9 p90 -133.89 173.84 11.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.6 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.8 0.333 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -104.32 133.9 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.408 ' C ' HD11 ' A' ' 17' ' ' LEU . 1.3 m -91.8 104.1 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.408 HD11 ' C ' ' A' ' 16' ' ' THR . 7.7 mp -107.08 123.83 48.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.478 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 15.6 mp0 -101.98 97.51 8.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 110.981 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 85.07 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -101.53 140.7 35.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.3 m -134.26 111.05 9.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.498 ' OE2' ' N ' ' A' ' 23' ' ' ASP . 2.6 tp10 -103.44 149.73 24.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.498 ' N ' ' OE2' ' A' ' 22' ' ' GLU . 69.7 m-20 64.77 54.72 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.3 m -122.53 92.01 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.402 ' HA ' ' N ' ' A' ' 31' ' ' ALA . 30.7 mt-10 -50.34 127.39 17.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.5 p -71.61 -175.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.74 -50.14 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 12.0 pt-20 -69.55 -38.16 77.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.46 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 122.26 51.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.591 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' ALA . 53.3 t -132.08 90.95 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.204 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -34.26 120.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.49 HD13 ' N ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -117.12 139.66 50.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.518 HG21 ' CZ ' ' A' ' 123' ' ' TYR . 1.7 m -101.31 113.99 27.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.47 HG13 ' CG2' ' A' ' 122' ' ' VAL . 65.9 t -123.9 117.74 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.9 m -70.03 -59.69 2.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.19 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.68 139.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 15.8 t -143.25 119.58 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 111.099 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.76 156.2 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -107.58 134.43 50.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.68 149.8 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' CE ' ' OE2' ' A' ' 113' ' ' GLU . 9.1 pttt -144.13 149.1 35.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -70.76 125.13 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.1 mtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.865 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.819 0.342 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.469 ' O ' ' CD2' ' A' ' 56' ' ' PHE . . . -105.23 -11.05 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.33 -68.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.54 -24.59 32.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -75.8 -25.24 56.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.469 ' CD2' ' O ' ' A' ' 52' ' ' ALA . 10.5 m-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.799 0.333 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.8 -61.07 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 mp -39.96 -61.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -46.76 -44.71 19.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -63.12 -61.58 2.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.8 t -40.76 -50.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.9 -56.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.3 tp -45.98 -34.75 4.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 71' ' ' THR . 85.6 mt-30 -58.24 -64.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 70' ' ' GLN . 11.9 m -37.41 -61.37 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.5 mt -59.65 -44.79 93.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 76' ' ' LEU . 11.8 mt-10 -58.25 -69.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -37.05 -50.45 1.55 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.573 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -60.44 -37.8 82.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' GLU . 5.0 tp -57.31 -50.59 72.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -59.1 -43.91 91.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 t -66.46 -39.04 88.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.0 mm -73.55 -29.26 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 tt -76.49 -58.93 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -43.95 -52.66 6.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.3 t -60.53 -31.77 70.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 111.088 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.57 159.44 24.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.6 p -97.1 133.16 42.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.7 p -40.54 -49.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -52.07 -59.26 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -44.02 -54.93 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 71.7 mt -41.04 -63.14 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -51.98 -44.46 64.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -56.24 -68.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.27 110.87 18.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' ASP . 31.2 mtt180 -83.24 -57.0 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 92' ' ' ARG . 4.1 m-20 -37.09 -52.77 1.0 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.411 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 17.5 tp60 -51.21 -56.09 14.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -54.93 -43.68 73.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.39 -19.26 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -84.14 -50.17 8.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.411 ' CD1' ' O ' ' A' ' 94' ' ' GLN . 8.4 mp -52.1 -18.78 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.8 t -92.63 -49.68 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.428 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 17.8 ptt180 -67.13 -19.69 65.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 18.4 pt-20 -84.56 -39.2 19.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' A' ' 103' ' ' ALA . 2.0 p -76.51 -39.62 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.435 ' N ' ' CG1' ' A' ' 102' ' ' VAL . . . -73.84 -33.55 64.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.47 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -44.97 -60.87 2.66 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.549 0.69 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.501 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 54.2 Cg_endo -69.73 -1.77 9.01 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -95.53 -57.95 2.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.2 m -52.93 -25.41 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.55 -6.23 10.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -84.58 -42.06 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.1 ptt? -80.39 -32.68 37.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 123.7 12.04 4.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 26.8 mm -103.64 148.25 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 111.194 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.415 ' OE2' ' CE ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -126.46 141.85 51.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.9 pp -93.13 142.41 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 58.0 mt -97.25 -51.36 4.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.3 t -159.45 164.58 34.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.428 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -139.49 125.78 20.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.4 160.14 38.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.5 mm -103.28 105.59 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.402 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -64.93 -74.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.822 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -137.34 150.76 47.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.81 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.47 ' CG2' HG13 ' A' ' 34' ' ' VAL . 38.8 t -144.78 105.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.518 ' CZ ' HG21 ' A' ' 33' ' ' THR . 4.3 p90 -129.66 163.43 26.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.466 ' CG2' ' HG2' ' A' ' 39' ' ' GLN . 46.0 mt . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -106.4 134.36 49.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -92.06 106.09 18.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -110.19 120.55 42.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.487 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 0.7 OUTLIER -104.21 97.51 11.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.56 0.695 . . . . 0.0 110.921 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 89.79 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.743 2.296 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -101.18 140.95 34.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.0 m -140.94 135.0 30.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -128.94 155.18 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.5 t70 67.9 50.98 0.8 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 26.8 m -122.71 93.55 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -52.11 127.54 21.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.6 p -69.4 -177.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.424 ' CA ' ' O ' ' A' ' 81' ' ' GLY . . . -48.2 -56.54 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -64.57 -48.42 75.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.38 54.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.76 110.54 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HA ' ' C ' ' A' ' 24' ' ' VAL . . . -68.05 116.71 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.073 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' CD2' HG22 ' A' ' 85' ' ' VAL . 3.3 mm? -112.42 165.48 12.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.42 HG21 ' CE2' ' A' ' 123' ' ' TYR . 8.4 m -126.1 107.24 10.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.2 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.437 HG22 ' CG1' ' A' ' 122' ' ' VAL . 53.5 t -109.31 111.33 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.9 m -59.28 -48.82 80.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.48 142.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.525 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.6 t -149.67 107.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.093 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.98 151.33 48.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.466 ' HG2' ' CG2' ' A' ' 14' ' ' ILE . 7.5 tt0 -106.91 128.39 54.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.93 159.73 28.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -149.95 146.42 27.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.7 mm -67.68 124.19 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.412 ' HE1' ' C ' ' A' ' 112' ' ' ILE . 6.1 mtm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.872 0.367 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.88 -31.23 11.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -38.72 -61.97 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -71.65 -38.5 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -52.77 -34.59 53.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -42.84 -63.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.2 mp -42.58 -61.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -42.77 -45.12 4.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -66.6 -47.85 71.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.8 t -52.76 -58.42 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.1 -57.42 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.9 tp -45.26 -46.52 12.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -57.75 -44.44 86.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.421 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 23.1 m -48.57 -62.37 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.0 mt -59.42 -48.56 81.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -47.85 -60.27 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -41.69 -57.74 3.26 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.421 ' CD2' ' O ' ' A' ' 71' ' ' THR . 96.9 m-70 -51.24 -44.64 61.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 11.5 tp -44.39 -47.03 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.3 tmm_? -57.98 -69.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.782 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -38.24 -60.97 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.4 mm -52.09 -34.96 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 77' ' ' ARG . 5.8 tt -69.41 -53.95 16.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.424 ' O ' ' CA ' ' A' ' 27' ' ' ALA . . . -45.88 -55.99 6.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 t -60.65 -21.7 63.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 0.0 111.133 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.413 HD22 ' CG1' ' A' ' 88' ' ' ILE . 7.4 tp -91.02 156.68 17.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 67.5 p -104.25 144.08 32.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.445 HG22 ' CD2' ' A' ' 32' ' ' LEU . 4.6 t -38.82 -46.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -55.11 -67.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -39.95 -54.34 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.413 ' CG1' HD22 ' A' ' 83' ' ' LEU . 78.2 mt -45.91 -54.39 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' GLN . 34.0 m-85 -64.8 -63.81 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' TYR . 25.7 mm100 -36.75 -59.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -122.2 112.78 18.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -85.87 -43.15 13.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.28 -59.99 3.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -42.59 -63.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -40.12 -60.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.502 ' HB1' ' CD1' ' A' ' 119' ' ' ILE . . . -52.81 -63.18 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' ALA . 15.5 ttmm -35.71 -51.15 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.3 mp -53.8 -41.27 67.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 96' ' ' ALA . 42.3 t -63.66 -55.15 24.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.179 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.469 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 9.2 ptt180 -62.44 -24.81 67.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 53.0 mt-10 -73.86 -46.51 44.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 p -73.77 -24.45 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.187 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -85.62 -44.24 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.464 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -34.27 -60.61 0.48 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.589 0.709 . . . . 0.0 111.07 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.2 Cg_endo -69.84 -21.58 32.91 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.618 2.212 . . . . 0.0 112.307 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 103' ' ' ALA . 11.9 t70 -74.89 -59.87 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.458 HG21 ' N ' ' A' ' 108' ' ' GLY . 17.5 m -46.52 -36.2 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.458 ' N ' HG21 ' A' ' 107' ' ' VAL . . . -48.16 -34.26 12.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.5 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -53.33 -57.16 11.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -67.99 -33.59 74.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.03 33.84 1.45 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.412 ' C ' ' HE1' ' A' ' 43' ' ' MET . 50.7 mm -121.48 142.25 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 111.132 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -114.96 134.61 55.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.424 ' C ' HD12 ' A' ' 114' ' ' ILE . 1.9 pp -85.19 151.29 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 67.7 mt -106.29 -45.71 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.6 t -168.28 160.44 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.469 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 1.5 t80 -140.78 121.51 14.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.416 ' C ' HD12 ' A' ' 119' ' ' ILE . 1.9 m -133.4 165.28 25.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.502 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.3 OUTLIER -106.18 114.84 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -67.81 -65.29 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -160.23 137.0 9.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.437 ' CG1' HG22 ' A' ' 34' ' ' VAL . 33.2 m -118.79 125.44 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.42 ' CE2' HG21 ' A' ' 33' ' ' THR . 1.8 p90 -136.85 164.3 28.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.472 HG22 ' NE2' ' A' ' 39' ' ' GLN . 54.5 mt . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.786 0.327 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 ptt? -98.76 126.5 44.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -80.34 114.36 19.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 mt -124.63 110.91 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.55 96.74 9.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 114.81 3.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.274 . . . . 0.0 112.314 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -104.98 158.55 16.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -144.39 107.92 4.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -116.33 155.12 29.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.56 44.81 14.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.5 m -116.11 106.46 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.11 117.18 5.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.1 p -62.13 -175.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.191 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.98 -51.93 53.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -70.86 -36.2 72.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.468 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 126.6 51.05 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.441 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.463 HG23 ' CG ' ' A' ' 28' ' ' GLU . 92.3 t -126.1 113.38 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 111.141 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.413 ' C ' HD22 ' A' ' 32' ' ' LEU . . . -68.09 111.83 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 32' ' ' LEU . 4.2 mm? -114.32 164.74 13.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.467 HG23 ' CZ ' ' A' ' 123' ' ' TYR . 6.8 m -129.12 101.62 6.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.04 107.84 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.2 m -57.05 -48.55 78.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.194 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.5 139.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.514 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.465 HG11 ' N ' ' A' ' 38' ' ' ALA . 18.0 t -137.8 142.52 35.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 111.143 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.465 ' N ' HG11 ' A' ' 37' ' ' VAL . . . -159.62 166.65 30.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.478 ' CB ' ' HB2' ' A' ' 115' ' ' LEU . 5.2 mm100 -116.97 145.35 43.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.586 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 7.6 p -147.99 158.57 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.5 161.03 41.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.473 ' CD1' HD11 ' A' ' 112' ' ' ILE . 41.6 mm -91.19 93.95 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.478 ' HE1' ' N ' ' A' ' 113' ' ' GLU . 12.1 mtm . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.827 0.346 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.72 -22.16 12.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.27 -60.78 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.813 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -72.65 -34.14 67.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -58.26 -26.69 63.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.915 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -52.24 -49.32 64.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 65' ' ' LYS . 4.5 mp -64.02 -64.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' ILE . 34.9 mtpt -36.99 -40.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -68.65 -59.27 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.6 t -41.75 -52.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.83 -56.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tp -46.31 -38.57 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -54.22 -60.7 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.513 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 87.6 m -39.12 -56.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.61 -58.39 7.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -39.4 -62.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.4 -55.07 9.47 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.513 ' CD2' ' O ' ' A' ' 71' ' ' THR . 75.0 m-70 -51.26 -50.44 59.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.792 0.329 . . . . 0.0 110.839 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.5 tp -48.34 -43.5 33.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -65.05 -40.05 94.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.9 t -66.88 -59.7 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.1 mm -49.37 -40.2 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.3 -51.63 55.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -43.58 -52.17 6.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.8 t -68.31 -18.76 64.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.412 HD21 ' CG1' ' A' ' 88' ' ' ILE . 7.0 tp -93.57 141.7 28.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.8 p -80.48 139.25 36.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.495 HG13 ' N ' ' A' ' 86' ' ' GLU . 7.4 p -43.49 -33.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.495 ' N ' HG13 ' A' ' 85' ' ' VAL . 28.2 mt-10 -71.45 -47.8 53.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -55.1 -43.31 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.412 ' CG1' HD21 ' A' ' 83' ' ' LEU . 53.9 mt -51.61 -40.88 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' GLN . 30.4 m-85 -72.91 -51.57 18.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 89' ' ' TYR . 5.9 mm-40 -33.92 -63.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.66 105.51 4.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 94' ' ' GLN . 77.3 mtt180 -72.4 -57.54 4.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' ARG . 1.6 m-20 -37.52 -31.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 92' ' ' ARG . 57.6 tp60 -77.98 -47.75 17.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 92' ' ' ARG . 6.6 t80 -55.75 -50.22 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.7 -41.52 92.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -50.06 -35.02 23.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.0 mp -70.52 -35.13 73.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 37.7 t -66.11 -43.36 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -75.95 -26.29 56.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -74.55 -41.59 60.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.3 p -77.7 -25.07 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 104' ' ' ALA . . . -90.11 -47.2 7.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 103' ' ' ALA . . . -29.32 -59.07 0.25 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.634 0.731 . . . . 0.0 111.1 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.3 Cg_endo -69.81 -34.12 15.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 103' ' ' ALA . 2.8 t70 -63.09 -53.17 57.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' GLY . 15.9 m -59.14 -48.06 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -36.13 -48.76 1.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -44.95 -50.27 10.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.9 mtm -68.13 -41.61 81.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 125.53 31.16 0.85 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.586 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 50.6 mm -121.93 136.16 59.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.311 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.478 ' N ' ' HE1' ' A' ' 43' ' ' MET . 21.9 tt0 -113.18 137.16 51.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.4 pp -94.66 128.94 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.479 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 1.7 mm? -74.22 -51.26 15.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.976 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.7 m -165.08 -178.25 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -148.42 149.51 31.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -165.22 164.57 20.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 48.1 mm -103.17 114.68 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.441 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 3.0 tppt? -68.37 -68.14 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -152.15 145.69 24.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.48 119.85 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.467 ' CZ ' HG23 ' A' ' 33' ' ' THR . 4.6 p90 -137.13 155.08 50.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.9 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.847 0.356 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.463 ' HG3' ' CG1' ' A' ' 40' ' ' VAL . 3.0 ptt? -129.09 132.56 47.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 m -96.49 109.73 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -111.76 125.38 53.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -105.06 97.49 13.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.676 0.75 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 96.75 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.776 2.318 . . . . 0.0 112.368 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 ptt-85 -108.42 140.21 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.809 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 m -143.31 113.79 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -106.55 155.85 19.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.8 t70 67.63 45.77 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.5 m -104.76 109.3 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.08 105.97 1.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.404 HG22 ' CG2' ' A' ' 85' ' ' VAL . 71.6 p -56.64 -176.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.91 -47.22 68.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.86 -40.79 92.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.47 50.23 0.2 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.516 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 t -132.69 125.92 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.43 123.48 22.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -121.07 165.86 14.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.509 HG23 ' CE2' ' A' ' 123' ' ' TYR . 2.9 m -122.18 114.72 21.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.198 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.5 t -124.79 110.79 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.5 m -60.45 -54.17 48.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.93 142.83 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.419 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.6 t -146.96 118.1 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.99 153.16 48.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -105.21 152.1 23.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.529 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 7.1 p -155.59 158.22 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.46 ' HG2' ' CD1' ' A' ' 115' ' ' LEU . 4.5 ptmt -158.72 148.58 19.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.47 HG13 ' CD1' ' A' ' 112' ' ' ILE . 1.1 mp -67.97 138.29 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.1 mtt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.859 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.822 0.344 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.48 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -121.32 19.82 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.414 ' HG ' ' N ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -88.97 -34.47 16.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.414 ' N ' ' HG ' ' A' ' 53' ' ' CYS . 5.6 tp10 -106.26 -22.6 12.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.485 ' OE1' ' CB ' ' A' ' 110' ' ' MET . 2.9 tt0 -68.62 -27.82 66.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 22.8 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.777 0.322 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.58 -56.41 19.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.433 HG13 ' CD1' ' A' ' 56' ' ' PHE . 2.6 mp -38.5 -66.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -44.76 -41.57 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 67' ' ' VAL . 6.5 m-80 -68.76 -66.64 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' ASN . 57.8 t -35.24 -49.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.37 -48.71 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.3 tp -55.58 -52.32 64.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -48.89 -43.87 39.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 48.1 m -51.66 -63.99 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.3 mt -58.71 -47.97 82.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -51.53 -68.78 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.42 -39.09 1.07 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.568 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -70.64 -42.9 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.371 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.2 tp -43.87 -53.45 6.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 78' ' ' SER . 28.6 ttt-85 -65.83 -64.45 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 77' ' ' ARG . 1.8 m -36.22 -47.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' LEU . 11.1 mm -73.41 -56.01 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ILE . 7.9 tt -35.87 -42.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.56 91.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 79' ' ' ILE . 69.7 p -50.25 -32.42 16.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 111.219 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.4 mt -97.24 167.46 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 85' ' ' VAL . 68.4 p -105.55 149.06 26.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 84' ' ' THR . 19.0 t -36.59 -48.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -56.4 -69.52 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -39.41 -57.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 71.1 mt -39.93 -49.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.212 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 90' ' ' GLN . 28.1 m-85 -67.91 -54.06 21.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 89' ' ' TYR . 15.9 mm-40 -34.54 -59.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -133.75 91.74 2.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -56.34 -43.58 79.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.5 -56.04 26.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -41.48 -44.39 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.84 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.802 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.89 -42.02 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -48.31 -44.76 34.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.27 -29.79 66.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.979 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 87.9 t -72.73 -35.73 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.462 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 7.0 ptt180 -85.25 -29.76 24.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 100' ' ' ARG . 30.4 mm-40 -70.81 -33.05 70.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.1 p -79.74 -32.24 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -80.93 -36.87 30.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.476 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -34.43 -60.26 0.52 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.543 0.687 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 54.0 Cg_endo -69.75 -21.81 33.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.621 2.214 . . . . 0.0 112.365 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 103' ' ' ALA . 14.2 t0 -75.59 -60.73 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.44 ' CG1' ' CE ' ' A' ' 110' ' ' MET . 2.1 m -51.66 -23.78 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.38 -23.81 62.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -65.06 -52.81 53.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.719 0.295 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.485 ' CB ' ' OE1' ' A' ' 55' ' ' GLN . 11.8 ptt? -70.47 -31.72 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.37 19.97 4.08 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.529 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 9.8 mm -111.06 145.6 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -123.33 136.7 54.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.471 ' O ' ' CD1' ' A' ' 114' ' ' ILE . 2.3 pp -79.59 126.49 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.464 ' N ' HD13 ' A' ' 115' ' ' LEU . 10.8 mp -87.56 -52.64 5.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 t -154.79 150.05 27.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.462 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 1.7 t80 -137.88 115.64 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.8 m -132.19 171.84 13.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.8 mm -107.51 137.63 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -92.52 -69.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -148.69 144.97 27.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.4 p -132.6 118.19 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.509 ' CE2' HG23 ' A' ' 33' ' ' THR . 5.8 p90 -132.95 162.99 30.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.0 mt . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.778 0.323 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.3 mtm -100.32 129.07 46.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.5 m -90.28 106.61 18.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 17' ' ' LEU . 10.2 mp -115.39 119.25 35.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.36 97.6 23.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.722 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 112.08 2.99 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.713 2.275 . . . . 0.0 112.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -114.23 153.62 29.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.9 p -139.0 130.91 27.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 37.7 mt-10 -126.17 160.91 28.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.4 p30 46.62 47.27 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 m -118.24 119.25 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 31' ' ' ALA . 1.9 mm-40 -80.06 152.6 29.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' GLY . 4.2 p -100.76 176.11 5.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -36.12 -39.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -76.26 -41.76 47.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' THR . . . 124.59 15.1 3.35 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.98 121.71 43.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 0.0 111.077 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.457 ' N ' ' OE1' ' A' ' 25' ' ' GLU . . . -69.79 119.38 13.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' ' 31' ' ' ALA . 3.3 mm? -115.49 158.93 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.479 HG23 ' CE2' ' A' ' 123' ' ' TYR . 2.2 m -120.93 103.95 9.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.79 126.53 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.7 m -80.35 -54.11 6.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.0 146.05 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.4 t -148.98 125.44 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 111.155 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.74 155.68 43.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -108.95 137.68 46.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.452 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 9.8 p -136.35 157.86 37.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.7 pttt -151.38 156.3 40.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mt -87.3 135.76 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.459 ' CE ' ' HB2' ' A' ' 113' ' ' GLU . 62.1 mtm . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.849 0.357 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.74 -36.51 6.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 4.6 m -58.5 -47.93 82.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -78.3 -11.06 59.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -90.38 -16.89 28.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.414 ' CD1' HG13 ' A' ' 64' ' ' ILE . 26.6 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.873 0.368 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -59.74 -45.3 92.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.414 HG13 ' CD1' ' A' ' 56' ' ' PHE . 2.8 mp -58.39 -58.15 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.54 -45.83 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -56.96 -63.26 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.9 t -40.65 -59.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.9 t -57.05 -44.48 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.2 tp -55.31 -41.1 71.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -59.37 -35.85 74.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.514 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 26.6 m -63.18 -60.04 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.463 HD21 ' CB ' ' A' ' 103' ' ' ALA . 96.2 mt -62.97 -44.33 96.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -60.43 -52.53 64.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.91 -40.98 27.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 71' ' ' THR . 77.1 m-70 -70.31 -52.12 25.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' HIS . 12.0 tp -35.39 -52.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -65.41 -39.57 92.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 75' ' ' HIS . 27.9 p -60.27 -46.64 89.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.7 mm -66.79 -45.51 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.3 -49.5 75.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -44.97 -51.05 8.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.2 t -75.46 -13.91 60.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 tp -98.42 123.71 42.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 38.7 p -65.88 141.0 58.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 86' ' ' GLU . 7.4 p -45.77 -39.7 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.439 ' N ' HG11 ' A' ' 85' ' ' VAL . 6.7 mm-40 -57.52 -36.07 71.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.19 -53.36 25.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.6 mp -43.88 -47.64 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -72.2 -52.71 15.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -41.8 -61.6 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.92 107.84 8.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -81.06 -52.41 7.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.89 -35.99 16.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.469 ' NE2' HD13 ' A' ' 98' ' ' LEU . 21.1 tm0? -71.41 -40.75 70.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -64.22 -35.14 79.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.29 -15.25 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -81.88 -51.41 8.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.469 HD13 ' NE2' ' A' ' 94' ' ' GLN . 5.4 mp -51.18 -17.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.2 t -89.93 -65.48 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.558 ' HB3' ' CD2' ' A' ' 117' ' ' PHE . 9.5 ptt180 -56.72 -24.71 51.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -75.32 -32.72 61.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.0 p -89.0 -22.25 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.463 ' CB ' HD21 ' A' ' 72' ' ' LEU . . . -90.76 -29.59 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.47 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -50.39 -60.76 4.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 54.1 Cg_endo -69.71 -1.78 9.02 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.76 -60.15 1.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.8 m -53.24 -37.97 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -45.22 -51.26 9.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -48.15 -49.33 32.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 45.1 mtm -65.11 -34.16 77.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.25 0.65 7.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.452 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 35.4 mm -101.24 142.86 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.459 ' HB2' ' CE ' ' A' ' 43' ' ' MET . 2.8 tp10 -126.05 132.3 51.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.428 ' C ' HD13 ' A' ' 114' ' ' ILE . 2.3 pp -80.44 142.98 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.5 mt -96.65 -51.36 4.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.8 t -156.6 168.68 26.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 100' ' ' ARG . 1.9 t80 -146.75 129.58 16.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.8 m -144.4 172.33 13.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 27.6 mm -110.88 125.32 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -72.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -139.89 145.03 37.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.8 t -139.98 110.12 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.479 ' CE2' HG23 ' A' ' 33' ' ' THR . 1.5 p90 -128.97 171.02 12.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 17.8 p-10 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.5 mt . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.868 0.366 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -108.6 137.03 47.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.1 m -94.05 110.08 21.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.43 HD13 ' N ' ' A' ' 17' ' ' LEU . 9.2 mp -113.52 113.35 25.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -106.08 97.46 15.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 113.01 3.23 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -114.03 132.85 55.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.26 138.96 48.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 54.2 mt-10 -128.85 151.14 49.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 2.9 p-10 46.68 49.89 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.7 m -105.01 105.75 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -60.38 126.86 29.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.456 HG22 ' CD2' ' A' ' 80' ' ' LEU . 41.4 p -75.78 -175.2 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.17 -56.29 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.419 ' CD ' HG21 ' A' ' 30' ' ' VAL . 13.6 pt-20 -66.27 -43.45 86.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.42 41.8 0.15 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.539 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.419 HG21 ' CD ' ' A' ' 28' ' ' GLU . 96.5 t -114.12 124.03 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 111.156 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.42 ' C ' HD22 ' A' ' 32' ' ' LEU . . . -71.3 120.29 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 32' ' ' LEU . 4.2 mm? -120.37 164.91 15.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.545 HG23 ' CE2' ' A' ' 123' ' ' TYR . 14.7 m -128.12 112.83 15.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.77 116.22 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 m -65.99 -52.51 48.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.55 146.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 24.3 t -151.62 119.74 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.095 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.52 142.56 33.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -89.4 154.96 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.457 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 8.7 p -157.32 144.69 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.411 ' N ' HG22 ' A' ' 40' ' ' VAL . 21.6 pttt -137.9 160.85 38.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.403 ' O ' ' O ' ' A' ' 43' ' ' MET . 47.2 mm -81.12 112.49 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.415 ' HE1' ' C ' ' A' ' 112' ' ' ILE . 6.8 mtt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 52' ' ' ALA . 4.4 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.79 0.329 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.402 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -99.5 -40.84 7.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.3 m -44.17 -65.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -61.63 -36.31 80.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -53.16 -32.16 46.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.52 ' CD1' HG13 ' A' ' 64' ' ' ILE . 6.3 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.458 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 56.6 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.28 -56.26 8.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.52 HG13 ' CD1' ' A' ' 56' ' ' PHE . 5.3 mp -52.13 -70.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -38.34 -42.32 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 62' ' ' GLN . 53.5 m-80 -66.62 -62.16 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.4 t -40.0 -61.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.8 t -53.73 -48.48 60.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -53.76 -47.31 70.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -53.31 -44.55 68.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.436 HG23 ' CG1' ' A' ' 107' ' ' VAL . 62.7 m -50.06 -62.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.421 HD23 ' CB ' ' A' ' 103' ' ' ALA . 26.6 mt -63.8 -53.59 48.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -44.09 -59.2 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.02 -48.73 45.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -59.79 -38.45 81.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.374 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.3 tp -50.23 -45.12 53.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -74.42 -34.63 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.2 p -63.25 -50.22 71.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.478 ' O ' ' C ' ' A' ' 80' ' ' LEU . 36.5 mm -67.13 -65.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 79' ' ' ILE . 6.1 tt -31.55 -40.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . -42.95 -67.7 0.9 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 83' ' ' LEU . 5.5 t -46.49 -34.77 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.132 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.459 ' N ' HG22 ' A' ' 82' ' ' THR . 32.7 mt -79.98 140.09 36.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.6 p -87.26 145.79 26.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.407 HG11 ' N ' ' A' ' 86' ' ' GLU . 7.7 p -39.78 -43.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.407 ' N ' HG11 ' A' ' 85' ' ' VAL . 2.9 tt0 -61.58 -68.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -38.99 -53.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.421 HD12 ' CD2' ' A' ' 80' ' ' LEU . 70.2 mt -41.99 -62.18 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -52.56 -51.4 59.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -49.8 -64.34 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.18 78.82 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -80.85 -24.35 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.42 ' N ' ' HG2' ' A' ' 92' ' ' ARG . 0.9 OUTLIER -56.72 -51.15 69.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -61.18 -48.56 80.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -41.39 -55.87 2.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.484 ' HB3' ' CD1' ' A' ' 117' ' ' PHE . . . -44.38 -47.31 9.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 100' ' ' ARG . 10.9 ttmm -53.46 -57.49 10.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.1 mp -41.22 -27.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.4 t -84.9 -40.93 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.463 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 21.5 ptt85 -67.44 -36.37 81.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.461 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 0.8 OUTLIER -70.77 -47.02 61.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.37 -27.75 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 104' ' ' ALA . . . -85.87 -39.83 16.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.471 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -34.0 -60.11 0.49 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.55 0.691 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 54.2 Cg_endo -69.76 -32.38 18.7 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -61.11 -53.18 60.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.436 ' CG1' HG23 ' A' ' 71' ' ' THR . 16.7 m -61.95 -43.22 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -37.81 -52.23 1.99 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.465 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -42.6 -51.15 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 51.0 mtm -65.85 -43.17 89.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.818 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 125.34 33.32 0.73 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.457 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 20.3 mm -123.69 135.47 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.782 0.325 . . . . 0.0 111.183 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 112' ' ' ILE . 3.2 tp10 -110.04 131.76 54.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.41 HD11 ' NH1' ' A' ' 100' ' ' ARG . 2.3 pp -89.6 140.56 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -89.58 -55.72 3.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.983 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 t -158.91 174.56 14.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.816 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -147.95 119.33 7.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.0 m -135.07 170.17 16.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.471 HG21 ' N ' ' A' ' 120' ' ' LYS . 23.9 mm -100.29 137.92 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.471 ' N ' HG21 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -99.5 -52.24 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -162.16 142.91 10.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.3 t -137.48 119.98 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.545 ' CE2' HG23 ' A' ' 33' ' ' THR . 2.2 p90 -136.02 171.31 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 124' ' ' ASP . 21.9 p-10 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.43 HG21 ' N ' ' A' ' 15' ' ' MET . 13.2 mt . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.893 0.377 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.43 ' N ' HG21 ' A' ' 14' ' ' ILE . 14.4 ptt? -118.78 126.04 50.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 m -79.47 108.46 13.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.43 ' CD1' HG11 ' A' ' 40' ' ' VAL . 81.3 mt -114.04 109.85 19.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.74 99.18 9.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 101.19 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.708 2.272 . . . . 0.0 112.374 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -106.29 129.6 54.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.3 m -123.86 111.98 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -107.77 154.78 21.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 59.04 43.04 18.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 21.7 m -104.05 102.41 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.58 114.42 4.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.2 p -76.09 179.96 5.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -40.85 -54.82 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -59.51 -29.36 67.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' THR . . . 112.93 -6.13 25.65 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.456 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.9 t -75.45 130.31 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.89 119.4 23.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 32' ' ' LEU . 4.2 mm? -115.08 165.62 12.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.77 104.8 8.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.459 HG22 ' CG1' ' A' ' 122' ' ' VAL . 78.2 t -108.56 113.09 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.0 m -65.25 -54.07 34.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.191 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.01 141.63 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 t -145.38 112.72 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.186 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -131.62 153.71 49.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -105.32 145.32 30.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.512 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 7.5 p -147.92 153.04 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -143.76 158.43 43.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.7 mm -81.11 123.72 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.6 mtm . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.796 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.776 0.322 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.63 -40.75 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 5.0 t -40.8 -59.29 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -70.29 -31.67 69.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -61.16 -31.16 70.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.403 ' CD1' HG12 ' A' ' 64' ' ' ILE . 18.7 m-85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.771 0.32 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -48.79 -46.99 42.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.403 HG12 ' CD1' ' A' ' 56' ' ' PHE . 6.0 mt -54.86 -70.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -39.03 -36.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -72.33 -48.6 40.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.8 t -51.12 -49.09 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.7 t -65.09 -48.35 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.3 tp -58.28 -34.48 70.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -62.07 -39.56 92.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.471 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 82.7 m -60.15 -56.85 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.15 -41.92 98.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.1 -58.83 6.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -43.96 -45.76 7.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.421 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.569 ' CD2' ' CB ' ' A' ' 103' ' ' ALA . 93.3 m-70 -60.18 -36.63 78.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.9 tp -57.84 -61.9 2.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -54.23 -42.23 69.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -61.07 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.43 HG23 ' CE1' ' A' ' 95' ' ' PHE . 22.8 mm -54.35 -32.59 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.4 tt -72.06 -42.2 66.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -49.81 -53.88 20.11 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.9 t -68.26 -26.56 65.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 111.124 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.552 HD22 ' CD1' ' A' ' 95' ' ' PHE . 7.4 tp -83.66 134.63 34.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.0 p -72.95 154.36 40.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.3 p -59.67 -42.73 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -61.02 -35.32 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -68.46 -50.28 53.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.4 mt -46.72 -37.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 90' ' ' GLN . 32.9 m-85 -76.19 -46.05 30.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 89' ' ' TYR . 18.7 mt-30 -38.14 -67.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.88 120.01 18.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 95' ' ' PHE . 44.0 mtm180 -87.55 -58.92 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' ARG . 1.7 p-10 -37.24 -43.23 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.444 ' NE2' HD23 ' A' ' 98' ' ' LEU . 25.1 tm0? -65.78 -40.58 92.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.552 ' CD1' HD22 ' A' ' 83' ' ' LEU . 9.3 t80 -55.96 -63.74 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.79 -40.8 14.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -51.18 -38.2 50.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.444 HD23 ' NE2' ' A' ' 94' ' ' GLN . 20.1 mt -76.21 -39.66 54.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.85 -29.22 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.451 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 7.6 ptp180 -86.85 -29.07 22.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.409 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 3.6 mm-40 -74.26 -37.81 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.504 HG13 ' CG ' ' A' ' 75' ' ' HIS . 12.9 p -72.25 -36.73 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.569 ' CB ' ' CD2' ' A' ' 75' ' ' HIS . . . -83.15 -38.2 22.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.06 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.511 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -33.35 -58.07 0.53 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 55.0 Cg_endo -69.72 -26.58 27.6 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.379 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.0 OUTLIER -70.54 -55.66 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 104' ' ' ALA . 6.1 m -48.09 -32.72 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.89 -30.76 70.37 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.98 -47.88 83.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.863 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -76.58 -30.68 57.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.33 26.8 3.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.439 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.512 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 28.3 mm -117.78 145.58 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -118.11 140.8 49.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.428 ' C ' HD12 ' A' ' 114' ' ' ILE . 1.7 pp -96.25 136.37 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.191 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.482 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 1.5 mm? -89.24 -48.76 7.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.957 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.04 157.43 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.451 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 1.6 t80 -130.66 123.42 29.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.18 168.64 14.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 41.2 mm -113.17 104.29 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -74.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -158.45 142.87 15.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.459 ' CG1' HG22 ' A' ' 34' ' ' VAL . 35.7 m -120.92 124.51 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.072 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -137.13 164.88 27.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.6 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.824 0.345 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.468 ' CG ' HG13 ' A' ' 40' ' ' VAL . 2.9 ptt? -125.11 139.36 53.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -100.48 104.49 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -100.82 125.6 47.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -105.18 97.48 13.59 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 86.37 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -95.69 131.06 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.7 p -123.43 123.27 40.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.74 142.36 51.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 t70 69.31 47.91 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 35.0 m -115.73 105.8 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -59.89 133.11 55.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.415 HG23 ' CD2' ' A' ' 80' ' ' LEU . 71.9 p -83.57 -175.41 5.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.212 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.49 -53.17 4.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.89 -43.6 71.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.45 28.94 0.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.9 t -99.09 131.05 47.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.779 0.323 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.37 111.48 20.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.83 165.93 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -128.35 107.98 10.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.467 HG22 ' CG2' ' A' ' 122' ' ' VAL . 99.2 t -119.43 119.58 61.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.1 m -68.21 -54.99 13.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.06 142.68 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.544 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 53.3 t -140.75 126.5 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.89 146.98 33.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.428 ' CG ' HD22 ' A' ' 115' ' ' LEU . 15.5 tp60 -103.43 132.7 49.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.468 HG13 ' CG ' ' A' ' 15' ' ' MET . 8.4 p -135.53 155.12 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.463 ' HG2' ' CD1' ' A' ' 115' ' ' LEU . 7.1 pttm -144.17 150.89 38.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.465 HD12 ' CD1' ' A' ' 112' ' ' ILE . 49.8 mm -75.15 103.58 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.1 mtm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.825 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.838 0.352 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.424 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . . . -108.24 -29.86 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.7 t -42.67 -68.98 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.27 -32.4 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -58.73 -24.72 62.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 52' ' ' ALA . 23.6 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.817 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.44 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 40.1 mt-30 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.732 0.301 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.94 -51.14 68.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.8 mp -60.07 -59.54 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -43.31 -37.86 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 62' ' ' GLN . 73.0 m-20 -77.49 -63.32 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' ASN . 84.0 t -36.88 -43.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -75.89 -62.06 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -42.54 -33.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -67.69 -42.73 81.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.477 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 18.0 m -54.12 -54.85 33.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.2 mt -68.49 -48.43 64.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.55 -58.76 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.92 -52.87 15.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 71' ' ' THR . 63.9 m-70 -52.34 -42.13 63.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.808 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.8 tp -51.7 -54.91 23.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -55.28 -42.68 73.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.2 t -61.86 -59.05 5.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.7 mm -60.28 -29.24 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.415 ' CD2' HG23 ' A' ' 26' ' ' THR . 5.4 tt -75.99 -28.64 57.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.53 -55.26 18.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 t -67.05 -12.08 58.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.795 0.331 . . . . 0.0 111.086 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.4 tp -103.15 133.62 47.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.2 p -74.59 148.94 40.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.071 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.0 p -48.12 -37.77 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.02 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -38.58 -53.16 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 53.3 mt -40.02 -44.41 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.439 ' CE1' HG11 ' A' ' 122' ' ' VAL . 57.7 m-85 -73.44 -49.09 28.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' TYR . 12.7 mm100 -35.1 -64.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.43 88.69 2.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -62.33 -56.8 14.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -45.78 -42.07 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 36.0 tp60 -61.4 -49.04 78.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -50.52 -62.21 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.76 -44.47 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -49.73 -38.67 34.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 24.2 mt -69.88 -43.97 70.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.486 HG11 ' CE2' ' A' ' 117' ' ' PHE . 61.6 t -61.4 -40.22 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 4.3 ptp180 -76.57 -35.26 58.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.469 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 41.5 mt-10 -68.43 -42.18 79.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.7 p -76.23 -25.72 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.94 -33.18 19.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.536 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -45.31 -56.53 9.22 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.546 0.689 . . . . 0.0 111.08 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.9 Cg_endo -69.77 -19.63 35.82 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.69 -60.99 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.464 ' CB ' ' HE1' ' A' ' 110' ' ' MET . 4.6 m -47.28 -38.74 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.36 -29.09 6.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -59.95 -46.18 90.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.464 ' HE1' ' CB ' ' A' ' 107' ' ' VAL . 7.6 ptt? -77.9 -33.62 51.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.17 37.69 1.0 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.465 ' CD1' HD12 ' A' ' 42' ' ' ILE . 7.0 mm -122.72 145.14 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -116.52 130.44 56.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.432 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.3 pp -84.47 140.33 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.483 HD11 ' N ' ' A' ' 115' ' ' LEU . 7.1 mp -95.1 -51.9 4.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 t -163.96 152.35 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.486 ' CE2' HG11 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -130.39 106.27 8.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.6 m -120.15 169.24 10.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 43.1 mm -103.76 139.08 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.455 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 1.6 tppt? -94.89 -72.38 0.62 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -148.23 143.9 27.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.467 ' CG2' HG22 ' A' ' 34' ' ' VAL . 2.3 p -131.57 115.78 29.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -131.76 174.49 10.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.2 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.832 0.348 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.98 138.38 54.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 m -96.19 116.6 29.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 69' ' ' LEU . 7.3 mp -113.21 126.33 55.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.419 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 6.1 mp0 -103.46 97.44 10.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 91.72 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -106.15 157.85 17.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 m -141.7 140.4 33.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -129.33 145.38 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 57.74 44.57 20.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.82 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.5 m -108.17 75.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -39.56 124.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.3 p -67.94 -175.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.85 -54.73 17.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -70.04 -16.09 63.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.67 47.1 1.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.423 HG12 ' CD2' ' A' ' 32' ' ' LEU . 57.9 t -120.58 104.0 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.88 0.372 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.423 ' C ' HD23 ' A' ' 32' ' ' LEU . . . -60.33 110.38 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 32' ' ' LEU . 3.9 mm? -113.13 151.23 31.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.41 HG23 ' CE2' ' A' ' 123' ' ' TYR . 6.8 m -108.97 104.62 13.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -110.88 119.14 58.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.0 m -70.54 -58.85 3.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.39 143.02 0.21 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.438 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 65.0 t -146.75 121.87 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.6 141.78 30.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -94.82 147.28 23.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.433 ' HA ' ' CD2' ' A' ' 115' ' ' LEU . 8.7 p -148.16 161.06 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.401 ' N ' HG23 ' A' ' 40' ' ' VAL . 18.3 pttt -154.18 159.49 41.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.465 HD11 ' CD1' ' A' ' 112' ' ' ILE . 32.7 mm -78.85 121.38 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.5 mtt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.756 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.828 0.347 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.453 ' HA ' ' NE2' ' A' ' 55' ' ' GLN . . . -104.47 18.34 22.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.5 t -89.28 -65.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -73.12 -24.12 60.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.594 ' OE1' ' CZ ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -61.31 -18.53 58.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.594 ' CZ ' ' OE1' ' A' ' 55' ' ' GLN . 23.1 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' ASP . 16.3 mt-30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.911 0.386 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 64' ' ' ILE . 7.6 t70 -36.14 -63.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.512 HG13 ' CD1' ' A' ' 56' ' ' PHE . 3.6 mp -36.33 -64.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -38.2 -49.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -62.12 -36.43 81.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 64' ' ' ILE . 84.6 t -65.4 -64.76 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.8 t -50.7 -29.07 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.435 ' N ' HD22 ' A' ' 17' ' ' LEU . 36.7 tp -72.77 -41.57 64.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -58.97 -32.74 69.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.457 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 89.2 m -65.33 -61.06 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.2 -38.76 90.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -59.16 -53.79 54.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.67 -43.0 53.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.46 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 71' ' ' THR . 89.8 m-70 -62.61 -36.91 84.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 tp -59.16 -44.03 92.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -69.39 -40.24 77.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -64.89 -50.64 65.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.782 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 43.1 mm -65.04 -36.94 78.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.39 -44.44 68.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.91 -46.63 32.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.451 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 t -77.5 -11.66 59.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.861 0.362 . . . . 0.0 111.191 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 tp -98.82 129.98 45.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.6 p -73.13 140.28 46.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 p -38.25 -46.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.02 -57.21 14.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -44.94 -45.73 10.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 49.2 mt -52.71 -36.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 90' ' ' GLN . 44.0 m-85 -76.34 -46.98 25.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 89' ' ' TYR . 36.0 mm-40 -33.85 -60.51 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.82 118.38 7.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -81.04 -51.04 8.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -47.08 -32.03 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.476 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 8.3 tm0? -80.74 -32.97 35.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -68.48 -55.86 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.29 -20.06 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -71.62 -59.1 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 94' ' ' GLN . 5.5 mp -50.24 -18.47 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.85 -29.07 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.469 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 5.0 ptm180 -85.52 -39.8 17.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -69.02 -30.56 68.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 103' ' ' ALA . 6.7 p -76.03 -35.49 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -84.16 -35.04 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.537 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -36.69 -56.81 1.3 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.616 0.722 . . . . 0.0 111.157 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.1 Cg_endo -69.77 -21.52 33.34 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.5 m-20 -77.68 -59.23 2.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.46 HG11 ' CE ' ' A' ' 110' ' ' MET . 20.7 m -51.63 -31.32 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.59 -18.36 23.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -72.79 -53.52 11.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.46 ' CE ' HG11 ' A' ' 107' ' ' VAL . 3.7 ptt? -68.26 -33.69 74.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 118.44 28.67 2.09 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 42' ' ' ILE . 41.5 mm -114.3 141.09 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.753 0.311 . . . . 0.0 111.159 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.402 ' N ' HG23 ' A' ' 112' ' ' ILE . 22.1 tt0 -114.33 133.42 55.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.405 HD13 ' C ' ' A' ' 114' ' ' ILE . 2.3 pp -91.38 130.88 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 40' ' ' VAL . 2.4 mm? -83.91 -55.62 4.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.2 m -156.27 169.54 24.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.469 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -145.79 117.0 7.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.403 ' CG2' ' H ' ' A' ' 119' ' ' ILE . 2.0 m -134.64 174.34 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.403 ' H ' ' CG2' ' A' ' 118' ' ' THR . 33.4 mm -113.38 135.53 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.438 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 40.6 tttm -91.08 -74.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -133.85 150.16 51.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.4 t -142.35 107.78 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.41 ' CE2' HG23 ' A' ' 33' ' ' THR . 8.0 p90 -127.69 156.34 42.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' A' ' 124' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -91.15 159.99 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.796 0.332 . . . . 0.0 110.886 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -114.55 158.96 20.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.28 114.22 0.6 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -143.75 120.91 11.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.0 110.819 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -60.78 141.22 57.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.8 111.53 0.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.526 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -112.17 38.52 2.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -151.21 148.22 27.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 11' ' ' SER . 6.6 tp -56.93 146.38 6.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.404 ' N ' HG13 ' A' ' 10' ' ' ILE . 49.5 m -109.99 84.79 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 13' ' ' GLU . 6.6 tt -53.84 -37.33 63.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 12' ' ' LEU . 8.7 mm-40 -34.46 150.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.6 mt -51.96 131.45 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.7 mtm -100.92 134.53 43.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.9 m -100.9 103.51 14.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.462 HD11 ' N ' ' A' ' 69' ' ' LEU . 20.8 mt -109.77 128.68 55.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -106.41 97.54 16.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.662 0.744 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 91.57 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.403 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -111.17 149.58 30.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 t -141.32 145.81 35.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -130.03 142.39 50.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 70.38 51.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.453 ' CG1' ' HG3' ' A' ' 77' ' ' ARG . 31.6 m -116.75 88.8 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -52.24 122.41 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.461 HG22 ' CG2' ' A' ' 85' ' ' VAL . 79.1 p -64.15 -175.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.74 -55.02 12.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -59.41 -52.39 65.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.94 42.44 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.3 t -122.55 116.47 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.7 117.81 10.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.064 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -116.37 164.21 14.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 m -120.04 109.6 15.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.232 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.44 ' CG2' HG22 ' A' ' 122' ' ' VAL . 78.8 t -114.67 123.47 70.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.2 m -75.98 -53.75 7.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.05 148.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.8 t -151.33 121.83 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.78 156.3 45.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -114.59 140.77 48.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.438 HG21 ' CG2' ' A' ' 112' ' ' ILE . 5.2 p -135.32 163.1 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -154.28 153.54 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.5 mm -69.43 148.38 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.7 mtm -103.28 155.61 18.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.28 153.53 29.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -137.3 108.18 6.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -51.67 -19.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.5 -72.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.4 tp -164.84 114.74 1.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.496 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -95.9 31.36 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.08 -11.38 38.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.94 -34.03 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.418 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . . . -109.74 -32.83 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.1 m -63.18 -57.82 9.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.13 -23.97 67.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -79.96 -16.51 55.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -113.09 -17.84 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.2 121.78 18.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.49 -38.38 3.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.468 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' A' ' 63' ' ' ASP . 1.4 mtmp? -71.32 -177.02 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 61' ' ' VAL . 9.9 m-20 -109.9 142.11 41.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.946 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' ASN . 2.6 m -35.38 -52.2 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -49.04 -48.17 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 59' ' ' LYS . 36.4 m-20 -53.94 -52.65 59.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mp -52.44 -63.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -46.4 -36.75 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -65.03 -58.29 6.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.0 t -47.11 -55.93 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.24 -49.31 84.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.462 ' N ' HD11 ' A' ' 17' ' ' LEU . 16.7 tp -54.07 -40.17 66.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -57.08 -55.69 31.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.3 m -42.37 -57.08 2.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.473 HD23 ' CB ' ' A' ' 103' ' ' ALA . 91.3 mt -64.2 -52.11 60.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.12 -67.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.09 -56.16 2.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -47.78 -51.23 23.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.7 tp -42.07 -54.76 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.453 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 37.4 ttp180 -53.95 -51.85 62.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -53.46 -47.95 69.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.2 mm -69.43 -27.12 33.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' CD2' HG21 ' A' ' 24' ' ' VAL . 5.1 tt -77.9 -31.16 51.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.44 -46.36 70.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -71.63 -20.31 61.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.358 . . . . 0.0 111.122 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.6 mt -98.93 129.82 45.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.402 ' CG2' ' H ' ' A' ' 86' ' ' GLU . 6.5 t -70.4 -177.29 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 26' ' ' THR . 9.5 t -77.33 -15.49 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.402 ' H ' ' CG2' ' A' ' 84' ' ' THR . 2.0 mp0 -87.19 -66.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -39.62 -40.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.99 -73.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.559 ' CE1' HG12 ' A' ' 122' ' ' VAL . 35.1 m-85 -48.98 -48.56 43.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -42.43 -61.91 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.89 81.82 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 62.2 mtm180 -66.82 -45.05 79.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -45.85 -39.39 8.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -71.49 -54.4 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -39.52 -51.74 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.06 95.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -56.22 -35.26 67.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.3 mt -71.03 -49.21 47.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -54.6 -36.87 37.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -83.72 -34.11 24.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.805 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -69.88 -29.6 66.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.6 p -87.92 -29.79 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.473 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -86.6 -30.62 21.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.478 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -47.57 -60.37 4.24 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.577 0.703 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.9 Cg_endo -69.67 -0.32 6.67 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.404 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.81 -53.62 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 112' ' ' ILE . 16.2 m -54.91 -24.47 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.97 -15.6 36.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.435 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -76.75 -37.18 56.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.819 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.445 ' CE ' HG12 ' A' ' 107' ' ' VAL . 0.4 OUTLIER -85.48 -29.84 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.59 32.11 2.19 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.454 ' O ' ' CG2' ' A' ' 107' ' ' VAL . 39.3 mm -127.58 138.75 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 0.0 111.137 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -116.29 141.43 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.974 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.428 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.4 pp -88.74 143.43 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -94.88 -54.12 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.6 t -155.96 162.31 40.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.789 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -140.8 126.16 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.1 m -138.94 173.64 11.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.8 mm -113.75 126.32 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -79.81 -72.25 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -149.14 139.16 22.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.559 HG12 ' CE1' ' A' ' 89' ' ' TYR . 21.0 t -125.72 101.97 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -118.5 167.55 11.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 124' ' ' ASP . 0.2 OUTLIER -109.67 114.32 27.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -35.74 78.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 11.4 m -75.88 -6.18 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.17 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.8 t70 50.33 40.7 23.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.489 ' CZ ' HD13 ' A' ' 132' ' ' LEU . 54.0 t80 -73.18 -58.06 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.89 -52.78 63.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 t -47.07 -50.91 18.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -53.4 -43.1 67.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.489 HD13 ' CZ ' ' A' ' 128' ' ' TYR . 18.2 mt -67.24 -34.41 77.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 43.22 85.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -64.65 118.46 8.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.357 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 2.5 p -142.56 147.99 36.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -65.96 123.28 19.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.1 p -120.07 173.11 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.0 t -119.97 148.24 43.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -149.95 146.29 15.32 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.88 159.96 51.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 35.0 p -147.09 139.39 24.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.92 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.9 m -69.77 -57.56 4.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -84.11 45.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.938 0.399 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m -98.62 97.52 8.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.91 124.28 6.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.537 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 m -119.88 98.79 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.941 0.401 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -57.64 110.69 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.75 159.41 8.32 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.527 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -119.98 34.12 5.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.33 150.27 37.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.1 tt -44.28 155.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.5 p -107.07 106.14 16.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 13' ' ' GLU . 4.4 tt -93.29 -40.58 10.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' LEU . 4.9 mp0 -35.96 153.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.0 mt -55.57 138.61 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.186 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 71.9 mtm -111.95 138.32 48.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.7 m -106.05 104.45 14.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 mt -113.42 128.36 56.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.466 ' NE2' HG22 ' A' ' 37' ' ' VAL . 3.3 mm-40 -102.0 100.5 15.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.708 . . . . 0.0 110.922 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 80.53 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.381 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.9 ttp85 -95.17 141.59 28.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.8 m -142.59 119.06 10.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -115.49 157.37 24.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 t0 65.32 47.27 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 24.6 m -114.71 102.7 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.27 118.58 6.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.452 HG22 ' CG2' ' A' ' 85' ' ' VAL . 17.4 p -65.93 -175.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.63 -50.06 61.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 pm0 -68.69 -26.24 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.86 51.79 0.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.404 HG13 ' CD2' ' A' ' 32' ' ' LEU . 17.0 t -130.65 115.49 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 111.15 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' HA ' ' C ' ' A' ' 24' ' ' VAL . . . -66.13 119.74 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.404 ' CD2' HG13 ' A' ' 30' ' ' VAL . 4.1 mm? -122.11 165.74 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -124.54 121.49 34.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.461 HG21 ' CG1' ' A' ' 122' ' ' VAL . 75.6 t -126.03 108.13 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.0 m -55.61 -58.46 7.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.97 147.63 0.33 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.474 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.466 HG22 ' NE2' ' A' ' 18' ' ' GLN . 54.4 t -152.11 114.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 111.129 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.74 129.44 32.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -84.36 131.29 34.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.405 HG21 ' N ' ' A' ' 41' ' ' LYS . 8.6 p -128.28 162.5 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' N ' HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -155.39 152.43 29.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.437 HD11 ' CD1' ' A' ' 112' ' ' ILE . 7.7 mm -73.92 129.43 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.9 mtm -67.82 163.42 21.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.24 156.15 17.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 9.2 pt-20 -74.62 93.84 2.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -88.05 -48.62 7.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -166.63 114.35 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 61.8 51.87 3.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.469 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -69.99 -2.17 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.49 -26.86 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p -54.42 -31.81 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 110' ' ' MET . . . -107.49 -39.8 5.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -38.51 -67.42 0.21 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -65.42 -22.18 66.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -36.34 83.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CE1' HG21 ' A' ' 64' ' ' ILE . 26.6 m-85 -105.36 -50.7 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 56' ' ' PHE . 15.2 mt -33.97 134.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.91 -40.29 2.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -70.27 177.84 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 63' ' ' ASP . 39.0 m-20 -105.04 146.46 29.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -42.59 -32.99 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -71.68 -37.51 70.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 60' ' ' ASN . 1.7 m-20 -61.26 -51.45 68.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.564 HG21 ' CE1' ' A' ' 56' ' ' PHE . 5.2 mp -54.45 -64.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -41.25 -38.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -70.34 -55.97 7.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.0 t -46.65 -58.18 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.5 t -55.99 -51.85 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 tp -50.8 -40.32 55.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.07 -50.47 73.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 83.6 m -46.17 -46.51 17.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -76.48 -35.09 58.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' GLY . 33.3 mt-10 -64.4 -69.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -37.78 -52.46 1.97 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 78' ' ' SER . 30.6 m-70 -56.91 -52.09 66.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 75' ' ' HIS . 3.4 tp -36.6 -50.57 0.81 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 77' ' ' ARG . 10.3 mtp-105 -60.19 -43.66 95.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' HIS . 12.7 t -59.64 -50.83 72.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.3 mm -67.83 -24.89 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.419 ' CD2' HG22 ' A' ' 24' ' ' VAL . 6.2 tt -78.24 -35.48 48.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.03 -51.06 60.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -69.02 -19.17 64.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 111.096 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.531 HD21 ' CD1' ' A' ' 95' ' ' PHE . 8.8 tp -89.56 161.96 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' VAL . 71.4 p -114.09 141.04 47.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.452 ' CG2' HG22 ' A' ' 26' ' ' THR . 36.7 t -36.79 -63.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 85' ' ' VAL . 20.6 mt-10 -37.12 -51.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -58.82 -58.22 9.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.1 mt -42.71 -43.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.522 ' CZ ' HG22 ' A' ' 122' ' ' VAL . 21.6 m-85 -74.05 -61.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' TYR . 4.8 mt-30 -33.99 -62.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.09 99.88 4.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -77.53 -35.97 52.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -53.28 -49.53 66.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -59.76 -40.2 87.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.531 ' CD1' HD21 ' A' ' 83' ' ' LEU . 21.9 t80 -53.82 -61.5 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.85 -47.01 31.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 14.6 ttmt -44.97 -35.24 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.8 mt -76.37 -38.56 55.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.7 t -67.54 -42.03 86.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.466 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 28.5 ptt180 -76.79 -30.01 56.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 97' ' ' LYS . 3.9 mm-40 -70.14 -32.41 70.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 p -83.19 -31.17 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -81.9 -41.09 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.475 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -33.95 -60.09 0.49 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.8 Cg_endo -69.78 -22.31 32.16 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 103' ' ' ALA . 3.9 t70 -75.46 -60.96 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.6 m -48.84 -36.22 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.18 -24.76 1.6 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -63.47 -56.34 16.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.79 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.495 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 4.1 ptt? -67.51 -33.06 74.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 115.83 34.24 1.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.414 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.437 ' CD1' HD11 ' A' ' 42' ' ' ILE . 43.8 mm -118.78 146.91 22.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.82 0.343 . . . . 0.0 111.117 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -122.16 133.7 54.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.406 ' C ' HD11 ' A' ' 114' ' ' ILE . 2.5 pp -83.92 134.93 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.5 mt -94.61 -52.45 4.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.9 p -153.93 147.52 25.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.787 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.466 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.6 OUTLIER -134.07 112.56 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.401 ' CG2' ' H ' ' A' ' 119' ' ' ILE . 2.4 m -131.12 173.7 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.401 ' H ' ' CG2' ' A' ' 118' ' ' THR . 26.1 mm -110.48 127.35 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 25.4 tttp -78.07 -59.3 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -170.19 141.78 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.522 HG22 ' CZ ' ' A' ' 89' ' ' TYR . 11.2 m -118.19 128.06 75.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -137.05 172.77 12.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.36 115.34 30.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -67.86 -38.44 83.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.5 m -83.07 13.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 43.47 42.99 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -56.76 -72.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.2 mp -40.42 -55.53 2.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.95 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.3 t -47.79 -45.95 30.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.9 t -60.16 -46.23 90.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 37.1 mt -53.89 -34.52 59.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 142.57 109.1 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.424 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -60.16 152.04 25.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 88.3 m -116.41 123.73 48.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -119.0 118.49 31.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.8 p -87.96 115.29 25.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 35.4 t -76.47 91.23 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 160.88 174.86 31.25 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 154.16 68.1 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.679 2.253 . . . . 0.0 112.307 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 60.3 m -91.6 42.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.4 m -71.25 -61.18 1.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.9 p -89.55 95.33 10.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.389 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 p -124.91 157.26 36.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.89 177.34 21.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -91.92 145.65 24.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m -41.87 124.68 2.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.21 57.43 0.38 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -113.32 27.58 9.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.705 0.288 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -57.63 156.58 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 9' ' ' ARG . 15.8 tt -36.36 153.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.6 t -164.88 117.07 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.52 119.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -152.71 155.34 37.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -96.28 142.85 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -130.73 135.72 48.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.81 113.15 25.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -121.86 125.26 46.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.493 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 18.4 mp0 -106.87 96.91 15.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 54.0 Cg_endo -69.75 101.61 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.346 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.7 mtt180 -101.58 163.73 12.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -144.24 120.71 11.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.82 154.02 45.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.4 25.73 14.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 20.2 m -100.24 103.39 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -64.74 123.62 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.425 HG21 ' CD2' ' A' ' 80' ' ' LEU . 20.8 p -63.51 -178.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.21 -55.16 11.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 11.4 pt-20 -61.12 -50.93 71.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 139.57 54.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.439 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.3 t -135.59 117.23 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.402 ' C ' HD22 ' A' ' 32' ' ' LEU . . . -67.04 116.13 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.402 HD22 ' C ' ' A' ' 31' ' ' ALA . 3.9 mm? -115.62 154.87 28.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.616 ' CG2' ' CZ ' ' A' ' 123' ' ' TYR . 17.5 m -114.53 118.27 33.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.449 HG23 ' CG2' ' A' ' 122' ' ' VAL . 63.3 t -126.81 112.08 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.6 m -64.59 -63.95 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.25 152.15 1.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 16.0 t -145.43 129.86 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 111.095 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.36 154.49 42.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -109.76 122.48 47.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.531 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 7.8 p -123.83 158.02 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.37 154.06 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.7 mm -66.44 134.59 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.45 ' CG ' ' HB2' ' A' ' 113' ' ' GLU . 9.4 mtt -67.77 167.96 12.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.97 163.21 12.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -112.16 116.75 30.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -93.5 -52.45 4.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -122.77 -59.0 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.4 mt -134.19 129.55 35.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -127.22 33.76 4.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.71 -1.66 14.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.5 p -80.78 -47.8 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.429 ' CB ' ' HA3' ' A' ' 111' ' ' GLY . . . -94.64 -20.57 19.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.8 m -63.57 -63.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -69.22 -22.57 63.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -70.05 -31.44 69.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' LEU . 23.7 m-85 -105.53 -54.83 2.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' PHE . 60.6 mt -36.98 139.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.94 -25.25 24.7 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.495 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -100.0 176.16 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -97.71 152.17 19.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 m -50.84 -21.12 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -72.23 -40.89 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.431 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 3.4 m-20 -61.39 -37.99 85.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.2 mp -63.3 -64.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -38.44 -49.27 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -60.52 -57.1 14.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 63' ' ' ASP . 45.9 t -46.64 -58.89 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.17 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.4 t -55.05 -47.15 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.3 tp -58.23 -37.95 75.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -60.67 -45.06 95.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.405 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 75.5 m -55.27 -57.57 11.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.35 -43.0 98.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 76' ' ' LEU . 12.7 mt-10 -62.39 -69.85 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.83 -48.43 0.71 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 71' ' ' THR . 43.0 m-70 -61.33 -44.41 97.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' GLU . 13.9 tp -52.73 -38.8 61.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -67.19 -45.6 76.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 t -63.83 -48.8 75.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.5 mm -59.23 -37.55 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.425 ' CD2' HG21 ' A' ' 26' ' ' THR . 7.7 tt -72.77 -32.04 65.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -61.23 -48.74 84.01 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 t -72.96 -16.05 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.766 0.317 . . . . 0.0 111.133 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.3 mt -102.03 139.53 37.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 57.5 p -84.88 154.17 22.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.0 t -40.53 -56.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -51.64 -58.12 7.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -43.29 -39.34 3.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.413 ' CD1' ' HG ' ' A' ' 80' ' ' LEU . 54.8 mt -65.95 -67.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 90' ' ' GLN . 36.6 m-85 -49.09 -53.08 22.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' TYR . 7.9 mm-40 -37.61 -63.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -126.06 105.95 9.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -76.82 -43.81 35.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -53.79 -46.98 71.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -58.02 -66.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -41.0 -52.41 3.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.87 -44.15 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -57.56 -47.17 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.79 -13.71 4.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.11 -37.7 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.463 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 13.2 ptt180 -76.9 -39.27 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.89 -33.72 74.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.0 p -78.4 -29.29 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.35 -32.7 19.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.492 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -42.51 -59.19 3.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 54.1 Cg_endo -69.72 -8.82 24.58 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.727 2.285 . . . . 0.0 112.345 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.22 -61.29 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.449 ' CB ' ' HE2' ' A' ' 110' ' ' MET . 11.3 m -47.51 -37.63 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -45.14 -28.38 1.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.532 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -61.51 -57.2 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.449 ' HE2' ' CB ' ' A' ' 107' ' ' VAL . 5.2 ptt? -65.02 -33.05 75.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.429 ' HA3' ' CB ' ' A' ' 52' ' ' ALA . . . 116.09 29.62 2.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.531 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 29.3 mm -116.98 138.59 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 111.118 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.45 ' HB2' ' CG ' ' A' ' 43' ' ' MET . 3.5 tp10 -113.96 128.95 56.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.416 ' C ' HD13 ' A' ' 114' ' ' ILE . 2.3 pp -80.49 145.99 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 77.5 mt -102.15 -52.37 3.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.8 p -156.6 161.73 39.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.463 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 2.7 t80 -143.61 126.53 16.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.404 ' CG2' ' H ' ' A' ' 119' ' ' ILE . 4.7 m -146.29 171.1 15.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.404 ' H ' ' CG2' ' A' ' 118' ' ' THR . 46.6 mm -98.33 140.45 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 21.9 tptp -99.87 -69.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.89 143.73 26.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.449 ' CG2' HG23 ' A' ' 34' ' ' VAL . 2.9 p -134.14 129.17 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.616 ' CZ ' ' CG2' ' A' ' 33' ' ' THR . 2.5 p90 -136.86 170.94 15.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.94 119.23 34.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -58.69 -32.51 69.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.0 m -88.63 -22.91 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.154 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.4 t70 58.6 44.29 17.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -72.83 -57.64 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.3 mp -63.67 -42.32 98.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.9 m -58.4 -17.88 23.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.0 m -100.47 31.35 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 37.6 mt -104.63 -35.46 7.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 159.25 -58.46 0.33 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.44 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -55.19 145.03 22.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.381 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 19.1 p -139.7 175.24 9.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -50.56 147.16 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.5 t -85.98 -27.61 24.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.9 t -147.05 167.96 22.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -137.96 171.98 23.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 141' ' ' SER . 54.0 Cg_endo -69.74 -4.48 14.11 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.39 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 140' ' ' PRO . 43.9 m -36.97 -52.85 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.9 m -124.35 165.56 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.3 p 44.0 42.06 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -79.84 152.58 29.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.26 85.88 0.32 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -42.26 -50.95 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m -114.34 100.98 8.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.01 75.35 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -86.07 -14.04 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.4 159.01 22.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 tt -53.48 146.84 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.5 t -103.67 141.01 36.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 pp -121.47 -37.03 2.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -39.66 146.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.432 HG23 ' CG ' ' A' ' 39' ' ' GLN . 31.1 mt -53.72 129.45 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.439 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 45.4 mtm -101.96 121.2 41.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.8 m -85.29 102.6 13.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 mt -109.97 126.96 54.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -101.99 97.68 8.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.691 0.758 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 79.98 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.693 2.262 . . . . 0.0 112.321 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -95.37 141.24 29.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 p -129.52 124.12 33.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -124.17 143.45 50.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 66.43 49.77 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 35.6 m -119.22 88.71 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -53.76 126.46 22.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.0 p -72.32 -175.08 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.83 -55.19 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 7.8 pt-20 -63.32 -40.43 97.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.446 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 124.38 46.51 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.423 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 86.1 t -122.04 100.26 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' C ' HD22 ' A' ' 32' ' ' LEU . . . -57.3 115.93 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.423 ' CD2' ' O ' ' A' ' 30' ' ' VAL . 4.1 mm? -116.23 161.16 19.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.43 HG21 ' CE2' ' A' ' 123' ' ' TYR . 0.5 OUTLIER -120.91 108.44 13.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.1 t -112.35 113.51 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.9 m -61.04 -55.77 28.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.74 145.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.404 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 24.6 t -148.39 122.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 111.167 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.51 138.8 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' CG ' HG23 ' A' ' 14' ' ' ILE . 10.8 tt0 -93.42 136.97 33.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.439 ' CG1' ' O ' ' A' ' 15' ' ' MET . 8.4 p -133.91 161.22 41.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' N ' HG22 ' A' ' 40' ' ' VAL . 35.3 pttt -151.35 152.35 33.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.446 ' CD1' HD12 ' A' ' 112' ' ' ILE . 37.5 mm -78.35 121.84 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.2 mtt -52.55 146.72 9.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.15 159.69 20.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.127 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . 7.4 pt-20 -108.85 104.94 14.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -83.06 -43.44 16.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -132.81 -61.75 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.5 mt -135.79 109.07 7.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.502 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -121.56 32.28 5.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.54 -22.15 66.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.7 p -57.93 -42.03 81.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.79 -38.24 8.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.8 m -57.28 -57.17 13.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.09 -31.44 72.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.08 -42.09 93.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -84.78 -33.26 23.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.8 mt -45.95 -39.55 9.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.59 -37.07 94.13 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.443 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.463 ' HB2' ' CB ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -104.74 171.22 7.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.871 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -88.63 162.38 16.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.6 m -44.93 -45.58 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -53.04 -52.1 59.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.463 ' CB ' ' HB2' ' A' ' 59' ' ' LYS . 1.0 OUTLIER -45.89 -61.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' LYS . 5.2 mp -35.59 -67.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 64' ' ' ILE . 36.4 mttt -34.96 -49.46 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -68.32 -55.09 13.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.4 t -44.09 -61.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.2 t -50.89 -50.37 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 tp -56.14 -40.22 73.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -59.26 -37.45 77.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 94.3 m -58.44 -57.07 14.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.1 mt -65.05 -48.05 75.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -49.88 -64.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.34 -59.21 2.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -48.26 -45.76 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.86 0.362 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.2 tp -51.67 -37.98 52.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -68.52 -36.97 79.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 t -69.29 -55.0 11.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.6 mm -56.71 -47.02 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.19 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.32 -44.73 88.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.967 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.75 -55.61 11.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.0 t -63.24 -24.62 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.328 . . . . 0.0 111.166 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -91.35 124.24 35.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.1 p -65.35 153.89 39.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 86' ' ' GLU . 6.2 p -52.56 -43.77 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.416 ' N ' HG12 ' A' ' 85' ' ' VAL . 21.0 mp0 -56.71 -59.83 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -44.4 -56.05 4.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 48.0 mt -40.91 -58.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -57.93 -57.87 10.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -44.65 -61.84 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.32 90.5 3.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -88.64 -29.68 19.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.3 -44.86 68.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -69.07 -42.53 76.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -48.46 -40.92 27.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.1 -45.37 88.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -53.87 -43.34 69.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.59 -37.06 75.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.482 HG11 ' CE2' ' A' ' 117' ' ' PHE . 41.8 t -66.01 -61.93 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.457 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 4.9 ptm180 -58.61 -26.97 64.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -73.43 -39.73 64.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 103' ' ' ALA . 10.3 p -80.57 -23.43 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.445 ' N ' HG12 ' A' ' 102' ' ' VAL . . . -90.63 -39.17 12.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.467 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -37.89 -60.72 0.9 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 54.1 Cg_endo -69.74 -16.15 37.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.305 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 103' ' ' ALA . 12.3 t70 -80.29 -60.48 2.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.9 m -44.87 -37.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.61 -34.07 9.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.5 ptt85 -55.26 -43.65 74.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -83.8 -31.96 25.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 115.23 25.07 3.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.446 HD12 ' CD1' ' A' ' 42' ' ' ILE . 14.8 mm -107.46 132.28 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.068 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -107.27 132.38 53.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.423 ' C ' HD13 ' A' ' 114' ' ' ILE . 2.2 pp -92.09 137.2 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -87.27 -55.2 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 m -158.48 172.57 18.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.482 ' CE2' HG11 ' A' ' 99' ' ' VAL . 1.0 OUTLIER -147.57 131.17 16.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.403 ' CG2' ' H ' ' A' ' 119' ' ' ILE . 2.5 m -149.7 173.36 13.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.403 ' H ' ' CG2' ' A' ' 118' ' ' THR . 49.8 mm -107.69 134.09 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.404 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 25.0 tptt -90.89 -62.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -163.44 134.91 4.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.12 133.52 68.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.43 ' CE2' HG21 ' A' ' 33' ' ' THR . 2.0 p90 -136.83 172.8 12.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.91 114.59 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -68.21 -41.68 80.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 29.7 m -76.09 -17.48 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.6 t70 54.95 43.75 29.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -77.18 -67.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.49 -42.69 98.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 39.3 t -58.26 -38.55 77.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.0 t -57.89 -53.63 56.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 50.9 mt -52.84 -33.05 47.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 54.32 91.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.464 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -91.7 61.25 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 52.6 p -123.35 120.7 33.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.155 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -159.69 156.1 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 138' ' ' SER . 12.8 t -109.24 42.61 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 137' ' ' THR . 26.6 m -35.16 130.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -154.02 -172.59 22.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -34.09 15.25 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.7 m -89.89 159.89 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 72.5 m -134.08 146.22 50.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -38.13 151.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 110.83 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -98.1 81.08 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.62 98.58 0.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -102.46 163.63 12.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -88.35 -44.9 10.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.56 139.54 33.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.531 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -99.49 41.57 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.349 . . . . 0.0 110.956 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -99.69 159.85 14.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.7 tt -55.72 152.3 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 t -95.17 143.44 26.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 mt -120.12 -44.84 2.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.437 ' HG2' ' N ' ' A' ' 14' ' ' ILE . 28.9 tt0 -47.86 154.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.437 ' N ' ' HG2' ' A' ' 13' ' ' GLU . 58.7 mt -71.5 141.6 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.182 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -112.09 140.39 46.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.2 m -97.66 101.2 12.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -110.96 117.43 33.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.9 97.53 13.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.933 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 53.5 Cg_endo -69.82 102.14 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -108.54 154.24 22.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.0 m -141.44 124.97 16.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 61.0 mt-10 -119.96 158.27 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.5 p-10 46.61 52.04 11.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.3 m -117.82 90.68 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HA ' ' C ' ' A' ' 30' ' ' VAL . 47.1 mt-10 -53.51 126.46 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.46 HG21 ' CD2' ' A' ' 80' ' ' LEU . 41.2 p -71.37 -175.86 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -45.22 -57.15 4.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' CD ' HG23 ' A' ' 30' ' ' VAL . 5.5 pt-20 -62.57 -30.92 71.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.38 40.15 0.75 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.516 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.413 HG11 ' CD2' ' A' ' 32' ' ' LEU . 88.9 t -116.07 115.6 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.423 ' C ' HD22 ' A' ' 32' ' ' LEU . . . -63.7 121.36 13.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD21 ' CG2' ' A' ' 26' ' ' THR . 4.1 mm? -118.24 159.32 23.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.409 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 57.3 m -126.54 105.76 8.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.7 t -116.42 109.25 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 m -55.58 -52.95 62.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.42 137.19 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.6 t -145.62 121.69 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.58 155.05 45.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.059 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -112.34 133.04 54.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 p -129.34 161.49 38.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -153.88 143.05 21.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.55 125.11 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.4 mtt -51.77 -179.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.94 158.82 17.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . 10.8 pt-20 -106.19 116.39 31.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -94.89 -40.57 9.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.823 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 11.4 pt-20 -132.46 -49.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 5.4 mp -151.39 123.4 8.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -117.72 21.25 13.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.37 -14.17 25.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.3 p -66.08 -39.64 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' O ' ' CD2' ' A' ' 56' ' ' PHE . . . -108.03 -32.97 7.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.89 -25.6 67.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -80.8 -33.31 34.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.466 ' HG3' ' CD1' ' A' ' 56' ' ' PHE . 3.8 pt20 -81.18 -3.74 53.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 55' ' ' GLN . 21.3 m-85 -111.28 -42.88 3.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.6 mt -48.03 149.78 1.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.03 -33.93 2.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' HE3' ' CG ' ' A' ' 63' ' ' ASP . 6.3 mtpp -94.33 171.49 8.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.328 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -98.75 177.33 5.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -27.79 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.468 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 43.0 mt-30 -61.83 -34.36 75.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.421 ' CG ' ' HE3' ' A' ' 59' ' ' LYS . 2.0 m-20 -69.25 -47.54 64.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.457 HG13 ' CD1' ' A' ' 56' ' ' PHE . 4.2 mp -60.79 -53.12 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -53.26 -38.09 62.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 62' ' ' GLN . 40.2 m-20 -71.46 -64.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.5 t -39.36 -58.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.0 t -54.48 -47.52 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 tp -56.34 -45.79 80.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -50.55 -52.37 39.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.45 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 57.9 m -44.42 -60.22 2.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.8 mt -63.82 -58.62 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -37.4 -61.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.46 -50.4 30.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 71' ' ' THR . 66.8 m-70 -54.98 -38.66 68.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.3 tp -59.46 -47.03 87.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.7 ttp-105 -60.1 -49.85 76.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 t -58.52 -56.2 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.0 mm -55.44 -29.38 23.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.46 ' CD2' HG21 ' A' ' 26' ' ' THR . 2.5 tt -75.48 -47.04 28.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -54.01 -56.24 21.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 t -55.57 -40.43 71.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.5 mt -75.95 158.7 31.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' VAL . 18.7 p -97.68 138.74 34.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' THR . 2.5 p -37.67 -36.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -49.24 74.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -61.59 -36.6 81.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.411 ' CD1' HD22 ' A' ' 80' ' ' LEU . 82.6 mt -62.68 -49.45 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.512 ' CE1' HG21 ' A' ' 122' ' ' VAL . 11.6 m-85 -69.52 -45.07 69.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 89' ' ' TYR . 23.7 mm-40 -35.12 -62.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.89 106.84 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -68.03 -43.02 79.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -50.53 -54.1 25.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -60.08 -46.85 88.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -48.29 -58.76 4.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.524 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -55.64 -41.04 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -48.33 -35.23 11.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.84 -33.89 66.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.497 HG13 ' CE2' ' A' ' 117' ' ' PHE . 45.3 t -69.76 -47.07 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.472 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 25.9 ptt180 -71.7 -21.69 61.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.426 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 17.3 mt-10 -79.35 -39.79 31.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.402 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 11.0 p -79.25 -20.55 12.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -93.02 -36.74 12.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.514 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -42.75 -58.44 3.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 52.5 Cg_endo -69.79 -12.38 32.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.271 . . . . 0.0 112.306 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 102' ' ' VAL . 1.1 m-20 -86.19 -62.01 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.473 HG13 ' CE ' ' A' ' 110' ' ' MET . 4.1 m -43.79 -41.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.78 -34.39 1.86 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.545 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -52.69 -53.76 43.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.473 ' CE ' HG13 ' A' ' 107' ' ' VAL . 5.8 ptt? -71.47 -37.01 71.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.95 34.07 1.01 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.453 ' CG1' ' SD ' ' A' ' 110' ' ' MET . 47.9 mm -118.74 140.44 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 111.061 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -115.36 126.16 54.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.422 HD11 ' C ' ' A' ' 114' ' ' ILE . 2.4 pp -78.15 142.72 13.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.8 mt -94.01 -48.64 6.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.4 t -167.44 163.95 14.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.524 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -142.14 122.28 13.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.932 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.6 m -136.01 175.67 9.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 49.0 mm -118.55 122.75 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -74.33 -61.4 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -156.44 143.8 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.512 HG21 ' CE1' ' A' ' 89' ' ' TYR . 2.7 p -129.77 121.94 53.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.409 ' CE2' ' CG2' ' A' ' 33' ' ' THR . 3.2 p90 -137.07 165.08 26.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 0.5 OUTLIER -108.18 115.01 29.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -54.78 -41.4 70.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 17.6 m -80.35 -6.93 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 38.06 42.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -69.07 -43.43 74.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.3 mp -77.01 -25.35 52.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.7 m -76.67 -25.73 54.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -99.03 31.03 3.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 41.3 mt -79.86 -33.91 39.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 106.99 45.85 1.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.462 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -122.0 122.65 39.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.4 m -140.87 133.91 29.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -109.47 94.42 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 33.6 p -142.67 169.56 17.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.8 t -144.72 128.33 17.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.804 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.37 174.93 39.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 104.51 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.362 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 72.8 p -72.29 142.05 48.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.5 m -57.12 135.96 56.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.565 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -62.99 119.95 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 110.794 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -115.59 129.08 56.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.4 128.55 1.65 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -46.1 162.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.3 p -163.39 118.71 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.91 -118.99 1.24 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -100.01 -13.99 18.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 0.0 110.927 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -80.43 145.11 32.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.4 tp -94.62 143.05 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 t -84.56 130.71 34.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' GLU . 34.3 mt -113.02 -43.3 3.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 12' ' ' LEU . 7.9 tp10 -34.68 150.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.421 ' N ' ' HG3' ' A' ' 13' ' ' GLU . 69.5 mt -62.19 122.44 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.172 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.448 ' CG ' HG11 ' A' ' 40' ' ' VAL . 3.1 ptt? -99.36 129.87 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.2 m -93.66 112.95 24.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.7 mt -114.2 123.21 49.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -102.61 97.57 9.31 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.729 . . . . 0.0 110.961 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 87.21 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.617 2.211 . . . . 0.0 112.346 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -101.69 142.87 32.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.2 m -133.4 121.33 22.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.48 141.83 48.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t0 71.35 52.21 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.1 m -124.09 94.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.419 ' HA ' ' C ' ' A' ' 30' ' ' VAL . 29.6 mt-10 -56.15 121.03 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 p -60.67 -176.55 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -47.02 -57.68 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.54 -53.69 55.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 143.32 51.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.419 ' C ' ' HA ' ' A' ' 25' ' ' GLU . 23.6 t -129.67 107.84 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 111.11 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' C ' HD22 ' A' ' 32' ' ' LEU . . . -62.96 111.85 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.438 HD21 ' CG2' ' A' ' 85' ' ' VAL . 4.0 mm? -111.06 165.72 11.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 123' ' ' TYR . 0.8 OUTLIER -125.81 115.64 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.081 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.4 t -123.92 125.17 70.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.5 m -75.32 -61.71 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.23 136.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.5 t -135.5 128.32 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -148.26 152.67 37.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.072 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -109.24 145.21 36.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.448 HG11 ' CG ' ' A' ' 15' ' ' MET . 9.9 p -146.82 159.69 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.169 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HG2' ' CD2' ' A' ' 115' ' ' LEU . 12.7 pttt -156.95 151.15 25.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.458 HG13 ' CD1' ' A' ' 112' ' ' ILE . 1.3 mp -73.92 119.09 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.07 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 31.6 mtm -59.76 158.65 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.913 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.98 163.93 22.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -74.23 93.43 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -87.94 -55.9 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -154.35 112.19 3.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.7 mt 57.66 53.3 7.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.451 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -60.88 -14.76 24.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.916 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.72 -33.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 52' ' ' ALA . 7.3 p -48.06 -47.81 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.426 ' N ' HG12 ' A' ' 51' ' ' VAL . . . -102.98 -28.19 12.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.79 -66.89 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -65.85 -33.9 76.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -57.02 -35.19 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 59' ' ' LYS . 20.1 m-85 -94.65 -51.35 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' PHE . 35.5 mt -37.26 -52.94 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -49.07 -39.71 27.05 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 56' ' ' PHE . 7.7 mtpp -100.19 178.38 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -84.08 177.15 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.822 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 23.8 m -70.11 -39.35 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -51.99 -47.83 64.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 64' ' ' ILE . 2.2 m-20 -49.27 -59.21 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 63' ' ' ASP . 2.9 mp -35.75 -67.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -38.75 -51.73 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' VAL . 23.5 m-80 -63.15 -62.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' ASN . 73.6 t -37.11 -50.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.8 t -66.16 -59.89 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 tp -45.62 -33.19 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -64.8 -40.46 95.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.497 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 19.7 m -58.26 -53.65 55.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.9 mt -67.1 -40.82 87.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -61.04 -44.54 97.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.24 -43.36 99.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 71' ' ' THR . 90.4 m-70 -65.51 -43.66 89.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 tp -50.6 -51.95 43.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -48.24 71.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.5 t -58.28 -57.98 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.7 mm -55.24 -30.46 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 tt -73.84 -57.85 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -47.72 -61.28 4.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.8 t -53.07 -18.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 0.0 111.081 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.9 mt -97.81 163.76 12.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 85' ' ' VAL . 64.9 p -106.5 140.08 39.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 84' ' ' THR . 16.7 t -33.94 -52.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -51.08 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -38.3 -49.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 58.2 mt -51.79 -52.93 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 90' ' ' GLN . 18.6 m-85 -62.74 -56.88 13.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 89' ' ' TYR . 5.6 mm-40 -35.75 -60.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.23 101.72 7.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -76.72 -56.64 4.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -47.83 -43.35 27.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -60.12 -47.1 87.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -48.87 -58.97 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.474 ' HB3' ' CD1' ' A' ' 117' ' ' PHE . . . -56.08 -40.32 73.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 32.5 ttmt -53.11 -33.74 53.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.1 mt -72.44 -45.54 59.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 t -61.6 -42.69 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.414 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 7.6 ptm180 -72.62 -27.2 62.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 97' ' ' LYS . 4.8 mm-40 -75.15 -36.53 61.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 103' ' ' ALA . 8.3 p -82.37 -24.88 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.465 ' N ' HG13 ' A' ' 102' ' ' VAL . . . -89.6 -30.55 18.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.48 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -47.57 -60.19 4.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.681 0.753 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 54.3 Cg_endo -69.74 -2.47 10.21 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.653 2.235 . . . . 0.0 112.398 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.47 -54.87 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 19.1 m -55.56 -31.22 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.84 -23.35 37.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -65.76 -50.76 63.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.1 ptt? -70.82 -35.01 72.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 123.68 19.32 2.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.458 ' CD1' HG13 ' A' ' 42' ' ' ILE . 18.0 mm -113.03 142.93 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 111.159 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -118.97 134.76 54.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.418 HD11 ' C ' ' A' ' 114' ' ' ILE . 2.3 pp -81.92 134.91 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 115' ' ' LEU . 4.0 mm? -85.94 -53.4 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.3 m -161.19 167.89 25.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 96' ' ' ALA . 0.4 OUTLIER -146.04 125.43 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.8 m -139.68 173.56 11.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.9 mm -113.23 115.52 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -77.21 -72.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.76 148.81 52.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 29.3 t -142.74 105.04 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.478 ' N ' ' CD1' ' A' ' 123' ' ' TYR . 1.0 OUTLIER -127.25 170.47 12.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.479 ' OD2' ' N ' ' A' ' 128' ' ' TYR . 31.7 p-10 -111.79 120.86 43.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -61.39 -31.99 71.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 127' ' ' ASP . 33.0 m -83.75 7.9 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 126' ' ' VAL . 7.7 m-20 35.3 39.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.479 ' N ' ' OD2' ' A' ' 124' ' ' ASP . 1.2 t80 -55.94 -53.89 51.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.6 mp -56.98 -45.17 83.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.9 t -62.82 -22.0 66.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.6 t -93.71 33.73 1.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 78.4 mt -106.33 -30.11 9.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.79 -67.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -72.46 143.39 48.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 16.9 p -111.23 64.87 0.61 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -125.77 156.05 40.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.3 t -112.83 145.49 40.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 90.0 p -169.32 115.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -141.66 85.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.538 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 137.15 34.99 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.737 2.291 . . . . 0.0 112.33 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 91.4 p -162.29 132.41 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.6 t -61.54 104.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.463 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -87.36 -44.27 11.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.879 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 t -153.57 136.37 15.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.29 -128.46 4.06 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.544 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -128.95 160.51 32.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 110.817 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -97.2 135.97 38.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.72 -166.77 10.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -132.57 42.92 3.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.974 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -164.12 135.72 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 tp -59.27 148.15 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.176 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.522 ' O ' ' N ' ' A' ' 13' ' ' GLU . 11.2 t -134.7 56.9 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' SER . 0.6 OUTLIER 34.63 31.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 11' ' ' SER . 12.1 pt-20 -68.24 160.2 29.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 15' ' ' MET . 65.4 mt -99.72 139.25 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.458 ' N ' HG22 ' A' ' 14' ' ' ILE . 22.3 mtm -120.69 138.91 53.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -103.9 105.56 15.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -115.13 131.63 56.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.408 ' CD ' ' N ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -117.73 97.39 50.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.521 0.677 . . . . 0.0 110.914 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 112.9 3.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.639 2.226 . . . . 0.0 112.367 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -112.87 144.41 42.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -135.45 116.23 14.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' CB ' HG21 ' A' ' 33' ' ' THR . 12.0 pt-20 -122.17 152.2 40.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 60.69 47.01 8.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.463 HG13 ' CG ' ' A' ' 77' ' ' ARG . 18.6 m -116.68 91.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -51.27 113.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.8 p -62.71 -178.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.15 -54.39 31.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -59.16 -32.82 70.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 115.41 51.03 0.44 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.2 t -137.14 120.55 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 111.157 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.55 124.47 24.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -121.2 165.79 14.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.448 HG21 ' CB ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -131.21 110.59 11.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 80.3 t -121.09 111.19 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.6 m -57.31 -53.9 52.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.03 138.31 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.458 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.6 t -145.91 128.17 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.8 149.34 36.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -105.31 124.42 49.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.829 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 p -121.16 162.16 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.02 149.96 20.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 35.3 mm -67.01 139.39 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.4 mtm -80.07 139.72 36.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -48.77 170.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.25 31.09 3.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.97 -38.45 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 49' ' ' LEU . 73.5 mm-40 -131.15 179.21 6.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -36.88 92.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -87.66 19.4 3.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.22 2.68 6.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p -86.28 -32.82 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.33 -34.16 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.167 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -46.15 -68.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.43 -10.8 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -83.6 -22.18 32.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.54 ' CE1' HG23 ' A' ' 64' ' ' ILE . 19.0 m-85 -117.63 -51.71 2.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.2 mt -38.74 131.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.29 -48.52 1.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -74.96 -175.63 2.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 63' ' ' ASP . 64.4 m-80 -110.63 150.43 29.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.4 m -38.85 -51.46 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -47.81 -40.63 21.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 60' ' ' ASN . 14.0 t0 -59.13 -66.82 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.54 HG23 ' CE1' ' A' ' 56' ' ' PHE . 5.0 mp -41.55 -58.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -45.1 -41.85 8.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -64.34 -56.69 12.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.5 t -47.14 -61.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.441 ' CG2' HG13 ' A' ' 112' ' ' ILE . 59.5 t -58.76 -48.71 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.75 -39.67 58.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -58.42 -54.36 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.547 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 38.0 m -42.46 -54.03 4.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.467 HD22 ' CB ' ' A' ' 103' ' ' ALA . 68.4 mt -66.09 -54.86 20.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -46.65 -66.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -36.91 -54.5 1.46 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.425 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 71' ' ' THR . 75.1 m-70 -53.24 -52.55 58.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.7 tp -39.37 -53.78 1.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.463 ' CG ' HG13 ' A' ' 24' ' ' VAL . 3.7 tmm_? -61.01 -41.23 96.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.8 m -62.01 -58.82 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.4 mm -57.01 -25.14 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 tt -80.49 -39.22 28.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.76 -49.0 73.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 t -68.33 -23.76 64.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.798 0.332 . . . . 0.0 111.174 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -93.47 160.7 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -95.99 166.13 11.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.5 p -64.75 -42.8 95.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -61.36 -38.17 85.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -64.56 -50.34 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.0 mt -50.17 -39.3 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' GLN . 14.3 m-85 -76.15 -48.23 21.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' TYR . 4.6 mm100 -35.3 -62.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -144.6 107.23 4.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -75.54 -41.71 54.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -46.76 -42.54 17.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -68.81 -43.79 74.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -52.39 -63.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -45.54 -46.56 14.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -47.65 -40.96 21.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.8 mt -70.73 -39.56 73.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.525 HG12 ' CE2' ' A' ' 117' ' ' PHE . 61.3 t -64.16 -37.21 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -80.68 -24.34 38.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 8.8 mt-10 -76.08 -40.32 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.477 HG11 ' CG ' ' A' ' 75' ' ' HIS . 7.1 p -73.88 -25.08 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.467 ' CB ' HD22 ' A' ' 72' ' ' LEU . . . -94.41 -39.57 10.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.466 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -33.4 -60.24 0.43 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 111.069 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.7 Cg_endo -69.74 -28.33 25.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.317 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 103' ' ' ALA . 27.4 t0 -64.78 -54.94 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.468 ' HA ' ' CE ' ' A' ' 110' ' ' MET . 19.7 m -59.66 -38.47 75.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.402 ' N ' HG22 ' A' ' 107' ' ' VAL . . . -45.22 -31.66 3.24 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.441 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 109' ' ' ARG . 17.0 mtp-105 -65.21 -46.73 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 107' ' ' VAL . 3.4 mpp? -71.18 -36.49 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 122.73 12.04 5.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.441 HG13 ' CG2' ' A' ' 68' ' ' VAL . 44.4 mm -105.42 136.9 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.773 0.321 . . . . 0.0 111.107 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -112.25 146.59 37.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.466 ' N ' ' HG2' ' A' ' 113' ' ' GLU . 2.0 pp -99.95 135.59 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.2 mt -91.14 -54.6 3.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 35.1 m -157.19 160.9 39.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.525 ' CE2' HG12 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -139.09 119.39 13.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.4 m -125.49 173.73 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 37.3 mm -119.26 103.85 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 31.0 tttm -54.68 -71.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -144.22 159.56 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.4 p -145.34 117.65 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.182 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -133.16 161.72 33.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.53 118.19 35.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -59.88 -33.77 72.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 127' ' ' ASP . 33.9 m -86.52 -7.65 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.177 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 126' ' ' VAL . 1.2 m-20 37.41 42.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.412 ' CE1' HD21 ' A' ' 132' ' ' LEU . 1.3 t80 -61.71 -60.98 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.982 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.6 mp -51.96 -29.05 18.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.3 t -82.79 -37.53 24.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.6 t -91.17 33.49 0.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.412 HD21 ' CE1' ' A' ' 128' ' ' TYR . 22.1 mt -71.0 -34.29 71.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 146.94 -50.24 0.6 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.529 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -128.92 107.31 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 41.5 p -143.79 136.6 27.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -172.19 122.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.2 p -49.3 124.52 9.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 57.7 p -153.4 167.82 28.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -117.12 86.73 0.42 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -43.12 2.8 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.295 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 13.4 t -87.5 122.67 31.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.3 t -60.27 -53.18 60.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -146.09 145.85 30.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.831 0.348 . . . . 0.0 110.858 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -164.18 173.05 12.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.46 145.46 4.14 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 p -169.57 142.48 2.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.2 m -101.07 105.46 16.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.69 111.27 1.0 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -85.15 49.88 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -122.74 137.65 54.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.9 tt -70.16 152.01 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -149.12 131.05 15.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tp -78.93 94.68 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -143.92 158.05 43.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.1 mt -77.07 122.02 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -106.63 137.33 44.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.428 ' OG1' ' NE2' ' A' ' 39' ' ' GLN . 32.0 m -96.68 114.67 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.433 ' CD2' ' HB ' ' A' ' 68' ' ' VAL . 6.0 mp -110.65 129.34 55.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -103.43 97.61 10.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.707 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 54.0 Cg_endo -69.75 80.52 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.624 2.216 . . . . 0.0 112.373 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' CB ' ' HA ' ' A' ' 35' ' ' THR . 39.1 ptt180 -102.35 147.18 27.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 t -143.63 141.41 30.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.64 147.94 51.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 73.29 38.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' ' CG2' ' A' ' 24' ' ' VAL . 27.3 m -111.24 95.82 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -52.1 130.43 30.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.464 HG22 ' CG2' ' A' ' 85' ' ' VAL . 3.2 p -74.14 -178.88 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.26 -57.83 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -62.01 -30.77 71.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.95 55.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 t -136.47 111.48 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.425 ' C ' HD22 ' A' ' 32' ' ' LEU . . . -64.8 113.87 4.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD22 ' C ' ' A' ' 31' ' ' ALA . 4.1 mm? -116.57 165.18 13.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 m -122.6 108.93 13.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.44 HG21 ' CG1' ' A' ' 122' ' ' VAL . 84.8 t -112.96 121.79 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.407 ' HA ' ' CB ' ' A' ' 20' ' ' ARG . 4.5 m -72.39 -61.94 1.62 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.69 144.43 0.4 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.41 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 41.6 t -144.4 114.78 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 0.0 111.067 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.97 141.96 42.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.083 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.428 ' NE2' ' OG1' ' A' ' 16' ' ' THR . 5.9 tp60 -94.07 148.05 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.456 HG23 ' CG2' ' A' ' 112' ' ' ILE . 2.3 p -145.11 160.07 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.174 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.54 158.3 33.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.975 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.548 ' CD1' ' CD1' ' A' ' 112' ' ' ILE . 28.7 mm -84.12 149.13 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.472 ' SD ' ' N ' ' A' ' 113' ' ' GLU . 2.1 mpp? -90.11 -176.35 4.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.82 -173.16 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -110.5 32.02 5.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -46.66 -35.99 6.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -118.91 -66.3 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.6 mt -151.4 133.67 15.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.449 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -125.25 5.47 7.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.11 -3.82 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 p -84.38 -38.09 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.41 -5.76 23.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.551 ' HG ' ' N ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -70.38 -34.54 72.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.551 ' N ' ' HG ' ' A' ' 53' ' ' CYS . 8.9 tp10 -90.55 -27.07 19.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -66.94 -26.48 66.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.438 ' CD1' HG13 ' A' ' 64' ' ' ILE . 9.8 m-30 -101.09 -59.39 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.9 mt -45.87 152.29 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.36 -32.58 3.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -105.11 179.11 4.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -94.51 167.47 11.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.4 m -54.56 -30.54 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -63.28 -41.7 99.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -48.93 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 67' ' ' VAL . 2.9 mp -52.28 -70.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -39.73 -48.19 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -60.54 -37.5 81.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' ILE . 65.0 t -64.64 -57.68 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.433 ' HB ' ' CD2' ' A' ' 17' ' ' LEU . 74.4 t -59.08 -35.37 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.7 tp -71.11 -38.41 72.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.981 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -57.58 -37.88 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 m -64.04 -53.97 41.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 99.1 mt -67.75 -58.41 4.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -45.55 -44.85 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.6 -60.36 9.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.406 ' ND1' HG22 ' A' ' 102' ' ' VAL . 36.9 m-70 -47.71 -43.13 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.808 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.423 ' CD1' HG22 ' A' ' 99' ' ' VAL . 10.0 tp -45.55 -56.24 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -56.6 -43.93 80.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -55.59 -48.63 74.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.8 mm -70.28 -58.68 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.463 ' CD2' HG21 ' A' ' 26' ' ' THR . 2.1 tt -39.86 -37.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.76 -58.71 9.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -76.31 1.14 16.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 111.174 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.438 ' C ' HD12 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -101.43 118.41 36.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' VAL . 45.1 p -72.78 136.17 45.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.464 ' CG2' HG22 ' A' ' 26' ' ' THR . 18.3 t -37.73 -61.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -39.11 -63.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -46.53 -51.36 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.5 mt -48.63 -54.0 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -62.22 -54.29 43.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -39.56 -65.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.41 109.98 13.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -81.27 -46.67 14.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -48.66 -54.92 12.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -51.11 -49.53 60.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -45.78 -64.34 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -49.11 -54.45 16.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' ALA . 16.6 ttmm -35.48 -40.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.41 -47.34 56.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 96' ' ' ALA . 46.4 t -58.34 -33.49 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.468 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 26.7 ptt180 -85.07 -29.39 24.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -71.87 -35.07 69.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.406 HG22 ' ND1' ' A' ' 75' ' ' HIS . 7.1 p -81.65 -31.04 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -85.45 -35.64 21.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.465 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -36.26 -60.33 0.72 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 111.097 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.9 Cg_endo -69.75 -18.44 37.05 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' ALA . 5.6 t70 -77.41 -56.2 4.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.462 HG12 ' CE ' ' A' ' 110' ' ' MET . 8.8 m -50.17 -42.14 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.92 -30.62 5.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.433 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -56.77 -56.44 21.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.462 ' CE ' HG12 ' A' ' 107' ' ' VAL . 10.0 ptt? -68.46 -33.38 74.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 120.77 28.1 1.79 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.548 ' CD1' ' CD1' ' A' ' 42' ' ' ILE . 29.7 mm -118.39 142.76 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.726 0.298 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.472 ' N ' ' SD ' ' A' ' 43' ' ' MET . 14.5 tt0 -118.61 127.98 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.414 ' O ' ' CD1' ' A' ' 114' ' ' ILE . 2.4 pp -77.57 130.96 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 67.5 mt -86.77 -57.23 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.9 m -153.33 149.25 27.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.468 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -130.97 119.97 22.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.822 -179.892 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.23 175.96 8.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 15.2 mm -111.6 134.44 53.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.41 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 3.3 tppp? -88.09 -73.44 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -159.03 136.36 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.44 ' CG1' HG21 ' A' ' 34' ' ' VAL . 26.0 m -114.91 125.98 72.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -137.1 166.83 22.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 124' ' ' ASP . 20.3 p-10 -104.74 111.72 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.79 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -68.75 -22.85 64.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.9 m -93.47 6.58 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 47.36 52.39 12.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -74.6 -60.61 2.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.8 -43.93 67.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.5 t -51.69 -43.94 62.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.5 t -58.36 -43.85 88.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 18.1 mt -53.98 -33.48 57.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 55.32 80.09 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.517 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -105.76 132.92 51.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -146.92 145.59 29.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -59.45 -23.73 62.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.05 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.6 m 50.62 54.82 10.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 88.1 p -165.28 111.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 167.51 86.03 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 173.34 11.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 57.8 p -133.58 173.88 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.6 t -125.29 -51.81 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 p -173.53 133.38 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 m -79.07 174.24 11.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.04 39.33 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -126.67 139.38 53.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.899 0.38 . . . . 0.0 110.889 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -66.38 109.04 2.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.71 152.75 7.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.57 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.88 15.06 22.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.959 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -94.4 136.2 34.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 tt -67.06 158.97 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.4 p -138.32 140.23 39.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tp -68.78 112.14 5.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -170.99 148.01 2.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.959 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.56 144.8 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -131.18 134.16 46.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.9 m -86.79 105.18 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -98.89 121.02 40.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -104.0 97.44 11.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.54 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 54.3 Cg_endo -69.71 80.24 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.392 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -98.62 150.29 21.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.1 p -139.66 145.86 38.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 9.0 mm-40 -130.46 156.96 43.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.6 p-10 46.85 54.06 9.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 32.6 m -116.72 84.89 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -42.18 135.49 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -74.27 -175.83 2.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.095 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 81' ' ' GLY . . . -58.15 -36.83 73.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -80.64 -47.66 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.7 49.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.7 t -137.07 113.17 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.414 ' C ' HD21 ' A' ' 32' ' ' LEU . . . -65.99 129.64 40.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.439 HD23 ' CG2' ' A' ' 85' ' ' VAL . 4.0 mm? -126.5 163.42 23.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.7 m -119.48 102.57 8.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.452 HG23 ' CG1' ' A' ' 122' ' ' VAL . 71.9 t -108.14 111.22 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 m -64.61 -61.37 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.25 148.97 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.475 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 14.0 t -145.93 124.17 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 111.112 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.6 135.68 28.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.033 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -95.83 126.63 41.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.1 p -127.06 162.68 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.31 155.1 33.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.4 mm -67.37 135.31 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.2 mtm -77.11 -177.81 4.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -118.47 -30.06 5.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.124 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 47' ' ' GLU . 6.9 mm-40 47.79 53.99 10.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 45' ' ' GLU . 42.9 mttt -33.74 -34.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 45' ' ' GLU . 20.6 tt0 -68.44 -52.28 34.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' GLU . 3.6 tp -170.44 107.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' VAL . 2.3 tm? -85.95 -17.36 35.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.42 -29.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' LEU . 2.7 p -51.2 -52.03 20.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.84 -43.62 44.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.9 m -49.0 -54.31 16.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.6 20.02 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -124.96 -24.08 4.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -112.07 -28.85 7.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.5 mt -50.61 -36.46 35.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.59 -21.91 73.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.473 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -117.46 165.24 13.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -80.62 177.81 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.86 -35.74 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -58.82 -50.61 73.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 64' ' ' ILE . 11.2 m-20 -45.46 -60.06 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 65' ' ' LYS . 2.5 mp -36.76 -66.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 64' ' ' ILE . 12.8 mptt -36.21 -53.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -63.36 -42.88 98.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.69 -59.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.2 t -53.72 -30.86 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.424 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 47.6 tp -72.34 -43.31 64.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -53.11 -36.21 60.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 99.3 m -62.68 -59.84 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.85 -57.24 7.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -45.44 -50.43 12.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.51 -66.08 3.09 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -44.43 -47.09 9.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.798 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.4 tp -39.44 -55.79 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 77' ' ' ARG . 8.1 mtp-105 -48.82 -68.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 t -40.78 -42.78 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.6 mm -70.29 -36.8 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 77' ' ' ARG . 6.7 tt -69.74 -35.82 75.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 27' ' ' ALA . . . -60.35 -53.62 44.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.438 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 t -60.5 -20.34 59.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.342 . . . . 0.0 111.154 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 95' ' ' PHE . 21.1 mt -99.92 145.81 27.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' VAL . 69.8 p -94.99 150.14 20.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.439 ' CG2' HD23 ' A' ' 32' ' ' LEU . 24.8 t -34.73 -65.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' GLN . 26.8 mt-10 -41.35 -69.01 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' GLU . 63.2 mt-30 -37.47 -53.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 27.4 mt -47.95 -49.14 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.061 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.511 ' CZ ' HG23 ' A' ' 122' ' ' VAL . 38.6 m-85 -68.57 -50.64 50.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' TYR . 3.7 mm-40 -34.8 -64.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -130.7 117.9 20.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' ASP . 10.0 mmt85 -79.92 -62.72 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.8 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -34.9 -56.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -49.34 -61.18 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.452 ' CD1' HD12 ' A' ' 83' ' ' LEU . 10.8 t80 -40.92 -58.88 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.959 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.78 -50.48 72.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.405 ' O ' ' OE2' ' A' ' 101' ' ' GLU . 22.4 ttmt -40.92 -39.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.99 -41.24 74.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.72 -42.59 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.409 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 12.9 ptm180 -75.64 -36.27 60.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -63.98 -31.13 72.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.2 p -87.84 -25.85 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.22 -21.8 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.076 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.485 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -55.45 -59.27 11.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.569 0.699 . . . . 0.0 111.083 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.6 Cg_endo -69.77 -15.0 36.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.588 2.192 . . . . 0.0 112.378 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.76 -63.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.462 HG11 ' CE ' ' A' ' 110' ' ' MET . 4.4 m -45.5 -35.24 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.87 -33.97 14.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 -55.82 -54.76 40.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.737 0.303 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.462 ' CE ' HG11 ' A' ' 107' ' ' VAL . 1.3 ptt? -66.52 -36.04 81.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 120.96 26.73 2.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.523 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 38.2 mm -115.76 140.1 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.798 0.333 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -118.58 131.16 56.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.408 HD11 ' C ' ' A' ' 114' ' ' ILE . 2.5 pp -82.68 137.59 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.0 mt -95.87 -51.29 4.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.1 t -154.7 153.07 30.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.54 ' CZ ' ' HG3' ' A' ' 19' ' ' PRO . 0.8 OUTLIER -137.23 117.45 13.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.837 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.8 m -132.17 173.93 10.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 49.5 mm -109.61 122.16 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.414 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -73.8 -66.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -164.91 140.0 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.511 HG23 ' CZ ' ' A' ' 89' ' ' TYR . 31.2 m -119.39 124.0 72.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -137.16 171.04 15.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -110.88 133.25 53.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -80.44 -17.8 50.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.0 m -94.2 1.62 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 44.45 54.28 6.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -84.4 -47.99 10.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.1 mt -69.57 -45.24 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.1 m -48.74 -47.36 41.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.6 m -49.29 -45.43 45.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 38.4 mt -54.86 -33.36 61.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 118.21 67.74 0.34 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -118.0 41.48 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 55.5 m -155.05 119.16 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 137' ' ' THR . 31.5 tt0 -56.36 -48.05 77.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 136' ' ' GLN . 39.2 m -37.2 125.46 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 51.2 p -160.17 137.7 9.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 124.17 -177.02 16.85 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 171.16 14.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 2.221 . . . . 0.0 112.406 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.5 t -47.24 -53.05 14.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 70.4 p -65.8 148.43 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.473 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -82.75 82.21 8.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -76.75 146.84 37.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.04 -115.08 2.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.0 p -133.02 128.54 36.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -153.52 172.93 16.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.39 -148.75 24.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -118.11 41.3 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -132.84 -175.0 3.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.9 tt -74.18 148.46 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.3 m -96.71 122.8 40.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 13' ' ' GLU . 35.8 mt -98.35 -45.82 6.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' LEU . 4.5 pm0 -37.1 150.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.451 ' CG2' ' HG3' ' A' ' 39' ' ' GLN . 11.5 mt -64.05 129.18 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -101.63 126.44 48.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.9 m -85.68 104.96 15.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.067 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 52.6 mt -112.05 113.27 25.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.6 99.28 9.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.551 0.691 . . . . 0.0 110.951 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 95.64 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -107.41 138.48 43.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 t -129.22 144.93 51.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -129.78 142.02 50.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.92 53.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 29.9 m -118.88 100.21 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -60.76 132.2 53.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.464 HG21 ' CD2' ' A' ' 80' ' ' LEU . 48.4 p -76.03 172.23 13.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.19 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.476 ' CA ' ' O ' ' A' ' 81' ' ' GLY . . . -34.52 -63.47 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.071 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -56.16 -52.12 65.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 141.83 44.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.3 t -120.63 116.88 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 111.078 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.13 118.34 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -118.87 160.78 21.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.574 ' CG2' ' CZ ' ' A' ' 123' ' ' TYR . 21.4 m -119.76 101.73 8.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.461 ' CG2' HG13 ' A' ' 122' ' ' VAL . 58.3 t -108.31 122.74 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.6 m -72.87 -48.09 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.7 146.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 6.0 t -151.36 124.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.26 160.43 40.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.451 ' HG3' ' CG2' ' A' ' 14' ' ' ILE . 5.5 tp60 -114.46 147.63 39.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.9 p -146.67 159.31 10.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -149.51 155.25 40.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 37.3 mm -79.82 117.28 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.6 mtt -46.08 172.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.807 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.95 162.58 15.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -95.18 110.54 22.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -116.52 -37.58 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -130.39 -55.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.7 mt -148.81 115.94 6.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.512 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -119.64 15.28 12.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.88 -4.41 6.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 p -83.21 -38.28 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.02 16.3 21.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.494 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 12.0 m -94.26 -12.69 27.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.86 -16.17 7.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 56' ' ' PHE . 2.0 pt20 -66.73 -13.14 61.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.557 ' CZ ' ' OE1' ' A' ' 55' ' ' GLN . 22.5 m-85 -119.53 -44.05 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 53' ' ' CYS . 20.1 mt -37.44 139.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.08 -40.29 3.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -73.58 -175.93 2.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.743 0.306 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -109.23 145.44 35.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -44.13 -30.9 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -73.6 -39.59 64.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.23 -48.29 80.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.546 HG13 ' CD1' ' A' ' 56' ' ' PHE . 3.3 mp -49.02 -69.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' ILE . 2.9 mptt -34.79 -44.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -63.22 -45.27 92.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' ILE . 88.0 t -55.95 -55.8 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.1 -48.21 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 tp -56.82 -34.96 68.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -61.51 -50.13 73.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.3 m -48.14 -48.49 34.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.452 HD22 ' CB ' ' A' ' 103' ' ' ALA . 70.2 mt -71.68 -37.97 70.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 74' ' ' GLY . 16.3 mt-10 -63.84 -67.15 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -35.74 -50.33 1.07 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.445 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' LEU . 52.3 m-70 -63.05 -45.79 90.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.359 . . . . 0.0 110.827 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' HIS . 6.5 tp -36.84 -65.19 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -50.42 -52.62 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 m -51.08 -35.97 37.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.1 mm -79.32 -38.75 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.464 ' CD2' HG21 ' A' ' 26' ' ' THR . 1.9 tt -66.46 -32.27 73.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.476 ' O ' ' CA ' ' A' ' 27' ' ' ALA . . . -66.68 -57.09 10.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.543 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 t -56.74 -30.9 64.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.792 0.33 . . . . 0.0 111.082 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.1 mt -92.74 138.35 31.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 76.0 p -73.54 153.32 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.428 ' HA ' ' CD1' ' A' ' 88' ' ' ILE . 1.0 OUTLIER -53.54 -48.64 58.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.59 -54.11 37.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -47.9 -45.34 30.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.428 ' CD1' ' HA ' ' A' ' 85' ' ' VAL . 19.1 mt -52.6 -53.55 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' GLN . 38.8 m-85 -61.9 -56.29 20.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' TYR . 6.6 mm-40 -35.48 -64.19 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -127.78 83.58 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -53.25 -43.85 67.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -51.04 -41.24 59.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -55.02 -69.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -40.26 -48.26 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.79 -40.82 66.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -69.82 -43.41 72.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 98' ' ' LEU . 3.5 mm? -47.21 -37.51 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.1 t -76.32 -65.13 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -48.3 -23.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.835 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -74.91 -37.22 62.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.2 p -85.4 -26.23 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -84.56 -46.39 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.47 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -33.68 -60.62 0.43 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.496 0.665 . . . . 0.0 111.066 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 54.0 Cg_endo -69.78 -22.22 32.29 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.73 2.287 . . . . 0.0 112.372 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 103' ' ' ALA . 5.5 t0 -74.41 -59.56 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 24.0 m -54.55 -21.49 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.53 -40.94 99.27 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.593 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.7 mtt-85 -58.8 -39.94 82.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.3 mtm -72.69 -43.75 62.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.11 24.36 1.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.7 mm -121.87 141.3 42.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.725 0.298 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -114.75 136.87 52.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.9 pp -91.69 143.5 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -89.81 -51.83 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.9 t -166.29 173.96 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -144.95 134.42 23.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.7 m -150.25 171.33 17.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 14.9 mm -103.47 140.85 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 27.3 tttm -97.02 -53.39 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -166.2 135.74 3.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.461 HG13 ' CG2' ' A' ' 34' ' ' VAL . 34.0 m -128.21 125.07 63.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.574 ' CZ ' ' CG2' ' A' ' 33' ' ' THR . 34.1 p90 -137.35 174.47 10.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -114.07 134.79 54.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.783 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -81.08 -26.92 35.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 127' ' ' ASP . 22.5 m -82.17 -22.48 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.409 ' N ' HG22 ' A' ' 126' ' ' VAL . 20.6 t70 68.04 54.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -84.32 -54.42 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.414 HD12 ' CE2' ' A' ' 89' ' ' TYR . 5.2 mt -55.67 -45.62 77.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.5 t -56.71 -49.43 75.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 30.6 t -46.54 -44.58 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.93 -30.71 71.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -106.79 57.02 0.47 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -105.41 103.67 13.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.859 0.362 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 18.1 p -120.3 131.64 54.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -95.82 -25.48 16.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.979 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 11.0 p -104.72 109.87 21.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 77.7 p -61.81 -51.61 67.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 148.34 -169.05 29.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 1.27 4.62 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 33.2 p -58.5 124.19 18.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.4 t -57.77 -55.87 29.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -128.6 -57.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.899 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -107.9 115.38 30.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.96 43.46 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.4 p -60.77 125.0 22.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.943 0.401 . . . . 0.0 110.863 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -169.11 152.08 4.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.812 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.25 120.99 0.41 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.503 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -118.69 40.95 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 9' ' ' ARG . 15.3 ttp-105 -166.54 157.48 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 tt -64.51 150.28 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.0 p -130.62 108.28 9.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.781 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.74 111.83 1.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -174.65 148.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 15' ' ' MET . 56.0 mt -60.71 141.19 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.441 ' N ' HG23 ' A' ' 14' ' ' ILE . 56.6 mtm -123.06 139.7 53.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -99.92 105.35 17.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.462 HD13 ' N ' ' A' ' 17' ' ' LEU . 10.8 mp -111.01 119.88 40.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -102.43 97.44 8.84 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.962 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.47 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 53.9 Cg_endo -69.75 107.02 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -117.54 157.23 26.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -143.89 134.48 24.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' HG2' ' CG2' ' A' ' 33' ' ' THR . 69.0 mt-10 -129.58 143.55 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t70 65.84 51.69 1.36 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.0 m -120.93 100.66 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.89 132.4 53.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.446 HG22 ' CG2' ' A' ' 85' ' ' VAL . 2.2 p -71.7 -175.89 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 81' ' ' GLY . . . -59.58 -38.06 80.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -76.46 -42.19 44.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.66 54.71 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.523 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.409 HG21 ' CD2' ' A' ' 128' ' ' TYR . 47.8 t -142.88 119.5 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 111.129 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.33 125.01 25.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -126.68 161.89 27.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.531 ' CG2' ' CE2' ' A' ' 123' ' ' TYR . 25.0 m -120.71 125.79 48.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.5 t -130.51 112.75 23.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.9 m -57.19 -58.63 7.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.73 133.66 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.8 t -138.97 120.34 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.843 0.354 . . . . 0.0 111.052 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.38 131.92 27.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -87.55 142.37 27.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p -138.49 165.42 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -157.05 138.82 14.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 112' ' ' ILE . 45.9 mm -63.49 129.98 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.3 mtm -76.27 170.39 16.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 m -109.18 -33.26 6.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 47' ' ' GLU . 27.6 mt-10 47.11 50.4 14.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 45' ' ' GLU . 56.4 tttt -31.11 -38.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 45' ' ' GLU . 1.3 tp10 -67.75 -62.47 1.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.9 mt -146.79 107.29 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.524 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 3.1 tm? -100.78 -19.92 15.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.21 -28.62 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 52' ' ' ALA . 7.5 p -49.96 -31.5 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.543 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . . . -111.99 -35.05 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.3 t -41.16 -68.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.59 -42.77 99.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -48.89 -40.48 30.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.543 ' CE2' ' HB2' ' A' ' 52' ' ' ALA . 24.2 m-85 -86.45 -47.11 9.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.4 mt -38.96 -41.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.28 -41.87 72.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.422 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -107.47 171.49 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.948 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 2.6 m-80 -86.32 158.6 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.422 ' HA ' ' CD1' ' A' ' 64' ' ' ILE . 9.5 m -43.82 -32.89 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -60.94 -61.38 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.425 ' OD1' ' CG2' ' A' ' 67' ' ' VAL . 48.1 t0 -39.27 -55.81 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 67' ' ' VAL . 5.3 mp -41.51 -67.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' ILE . 70.8 mttt -36.53 -41.7 0.31 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -76.49 -38.79 54.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 64' ' ' ILE . 78.9 t -60.85 -58.18 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.28 -38.86 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.18 -48.49 81.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -55.85 -32.87 64.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 86.7 m -60.79 -63.4 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.5 mt -62.3 -41.62 98.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -57.79 -62.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.66 -49.49 4.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.417 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -59.57 -44.1 93.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.3 tp -48.6 -54.11 15.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 36.3 mtm-85 -46.8 -59.76 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -53.67 -54.65 34.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.3 mm -53.17 -33.04 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 tt -75.08 -42.13 57.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 27' ' ' ALA . . . -55.19 -58.32 14.32 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.518 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -52.87 -26.64 15.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.172 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.39 143.61 27.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 72.1 p -90.75 154.17 19.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.446 ' CG2' HG22 ' A' ' 26' ' ' THR . 50.8 t -41.06 -44.07 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -57.67 -57.47 12.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -52.19 -43.93 64.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 74.0 mt -50.97 -62.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' GLN . 59.0 m-85 -61.0 -49.59 76.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' TYR . 13.7 mt-30 -35.97 -65.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.52 105.51 8.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.82 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.4 mtt85 -78.76 -49.89 12.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -46.15 -51.19 14.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 97' ' ' LYS . 20.4 tt0 -59.64 -55.98 27.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -40.5 -46.58 2.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.96 -36.17 77.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 94' ' ' GLN . 16.9 ttmm -61.23 -47.23 87.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.7 mp -53.57 -24.16 12.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.508 HG12 ' CE2' ' A' ' 117' ' ' PHE . 43.6 t -83.37 -63.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.227 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -52.11 -28.32 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 5.5 mm-40 -72.04 -50.59 27.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.24 -26.01 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -85.51 -42.8 14.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.46 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -33.37 -60.56 0.41 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.575 0.702 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.7 Cg_endo -69.74 -23.72 30.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.743 2.295 . . . . 0.0 112.286 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 103' ' ' ALA . 22.4 t0 -72.81 -59.08 2.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 6.9 m -46.59 -44.18 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -38.79 -31.01 0.11 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.551 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 21.9 mtp85 -57.21 -56.75 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -70.16 -33.03 71.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 114.97 35.78 1.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.421 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.461 ' CD1' HD12 ' A' ' 42' ' ' ILE . 31.4 mm -122.43 139.74 48.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.817 0.342 . . . . 0.0 111.091 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -114.01 132.13 56.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.428 ' C ' HD13 ' A' ' 114' ' ' ILE . 2.1 pp -81.15 141.35 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.8 mt -99.75 -45.13 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.8 m -168.48 150.62 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.508 ' CE2' HG12 ' A' ' 99' ' ' VAL . 0.5 OUTLIER -133.37 103.53 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.2 m -121.73 166.49 14.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 31.7 mm -97.0 149.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.68 -73.87 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -139.15 155.35 47.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.8 t -146.11 125.83 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.531 ' CE2' ' CG2' ' A' ' 33' ' ' THR . 3.9 p90 -133.89 173.84 11.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.82 120.99 43.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -82.05 -31.63 30.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.7 m -86.69 -32.01 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.159 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 67.67 48.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.409 ' CD2' HG21 ' A' ' 30' ' ' VAL . 2.4 t80 -79.73 -59.28 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.81 -42.52 81.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 12.6 t -61.21 -34.14 74.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.2 m -52.88 -46.93 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 23.9 mt -53.08 -32.61 48.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.989 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 78.84 54.47 4.17 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.538 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.02 132.41 11.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.5 96.75 3.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -93.19 -25.37 17.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 138' ' ' SER . 91.8 m -106.39 -55.04 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.206 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 137' ' ' THR . 1.0 OUTLIER -37.42 -48.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.43 -176.82 19.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 -10.6 28.92 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.739 2.292 . . . . 0.0 112.284 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.6 t -88.43 156.83 18.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.801 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.9 t -137.36 126.31 24.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.907 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.437 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.9 p -134.85 140.08 45.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.907 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -91.61 120.13 32.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.94 135.04 1.92 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.411 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -107.32 115.36 30.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -102.52 125.97 49.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.803 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.86 -164.56 31.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -97.95 42.58 1.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.761 0.315 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -133.06 124.31 27.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.3 tt -62.2 150.62 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.2 t -130.68 133.5 46.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.8 tp -82.2 109.77 16.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -162.77 155.06 18.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.6 mt -76.67 123.85 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -104.32 133.9 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.408 ' C ' HD11 ' A' ' 17' ' ' LEU . 1.3 m -91.8 104.1 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 HD11 ' C ' ' A' ' 16' ' ' THR . 7.7 mp -107.08 123.83 48.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.478 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 15.6 mp0 -101.98 97.51 8.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 110.981 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 85.07 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -101.53 140.7 35.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.3 m -134.26 111.05 9.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.498 ' OE2' ' N ' ' A' ' 23' ' ' ASP . 2.6 tp10 -103.44 149.73 24.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.498 ' N ' ' OE2' ' A' ' 22' ' ' GLU . 69.7 m-20 64.77 54.72 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.3 m -122.53 92.01 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.402 ' HA ' ' N ' ' A' ' 31' ' ' ALA . 30.7 mt-10 -50.34 127.39 17.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.5 p -71.61 -175.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.74 -50.14 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 12.0 pt-20 -69.55 -38.16 77.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.46 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 122.26 51.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.591 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' ALA . 53.3 t -132.08 90.95 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.204 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -34.26 120.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD13 ' N ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -117.12 139.66 50.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.518 HG21 ' CZ ' ' A' ' 123' ' ' TYR . 1.7 m -101.31 113.99 27.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.47 HG13 ' CG2' ' A' ' 122' ' ' VAL . 65.9 t -123.9 117.74 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.9 m -70.03 -59.69 2.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.19 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.68 139.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 15.8 t -143.25 119.58 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 111.099 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.76 156.2 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -107.58 134.43 50.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.68 149.8 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' CE ' ' OE2' ' A' ' 113' ' ' GLU . 9.1 pttt -144.13 149.1 35.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 mm -70.76 125.13 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.1 mtt -49.7 176.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.97 166.1 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -110.08 113.72 26.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -98.9 -44.79 6.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -127.27 -73.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.14 108.52 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.09 46.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.75 3.51 44.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p -85.82 -35.47 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.469 ' O ' ' CD2' ' A' ' 56' ' ' PHE . . . -105.23 -11.05 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 57' ' ' LEU . 1.7 m -78.33 -68.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.54 -24.59 32.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -75.8 -25.24 56.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.469 ' CD2' ' O ' ' A' ' 52' ' ' ALA . 10.5 m-30 -111.7 -61.41 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 56' ' ' PHE . 31.6 mt -34.23 140.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.51 -22.77 39.27 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -110.97 -175.56 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.855 0.36 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -91.42 176.35 6.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.8 m -70.66 -34.65 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -53.69 -40.37 65.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.8 -61.07 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.0 mp -39.96 -61.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -46.76 -44.71 19.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -63.12 -61.58 2.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.8 t -40.76 -50.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.9 -56.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.3 tp -45.98 -34.75 4.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 71' ' ' THR . 85.6 mt-30 -58.24 -64.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 70' ' ' GLN . 11.9 m -37.41 -61.37 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.5 mt -59.65 -44.79 93.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 76' ' ' LEU . 11.8 mt-10 -58.25 -69.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -37.05 -50.45 1.55 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.573 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -60.44 -37.8 82.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' GLU . 5.0 tp -57.31 -50.59 72.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -59.1 -43.91 91.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 t -66.46 -39.04 88.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.0 mm -73.55 -29.26 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 tt -76.49 -58.93 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -43.95 -52.66 6.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.3 t -60.53 -31.77 70.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 111.088 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.57 159.44 24.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.6 p -97.1 133.16 42.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.7 p -40.54 -49.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -52.07 -59.26 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -44.02 -54.93 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 71.7 mt -41.04 -63.14 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -51.98 -44.46 64.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -56.24 -68.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.27 110.87 18.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' ASP . 31.2 mtt180 -83.24 -57.0 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 92' ' ' ARG . 4.1 m-20 -37.09 -52.77 1.0 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.411 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 17.5 tp60 -51.21 -56.09 14.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -54.93 -43.68 73.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.39 -19.26 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -84.14 -50.17 8.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.411 ' CD1' ' O ' ' A' ' 94' ' ' GLN . 8.4 mp -52.1 -18.78 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.8 t -92.63 -49.68 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.428 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 17.8 ptt180 -67.13 -19.69 65.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 18.4 pt-20 -84.56 -39.2 19.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' A' ' 103' ' ' ALA . 2.0 p -76.51 -39.62 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.435 ' N ' ' CG1' ' A' ' 102' ' ' VAL . . . -73.84 -33.55 64.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.47 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -44.97 -60.87 2.66 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.549 0.69 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.501 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 54.2 Cg_endo -69.73 -1.77 9.01 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -95.53 -57.95 2.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.2 m -52.93 -25.41 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.55 -6.23 10.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -84.58 -42.06 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.1 ptt? -80.39 -32.68 37.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 123.7 12.04 4.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 26.8 mm -103.64 148.25 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 111.194 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.415 ' OE2' ' CE ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -126.46 141.85 51.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.9 pp -93.13 142.41 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 58.0 mt -97.25 -51.36 4.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.3 t -159.45 164.58 34.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.428 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -139.49 125.78 20.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.4 160.14 38.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.5 mm -103.28 105.59 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.402 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -64.93 -74.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.822 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -137.34 150.76 47.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.81 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.47 ' CG2' HG13 ' A' ' 34' ' ' VAL . 38.8 t -144.78 105.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.518 ' CZ ' HG21 ' A' ' 33' ' ' THR . 4.3 p90 -129.66 163.43 26.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 -114.64 113.26 24.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -55.58 -26.15 42.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.428 ' O ' ' CG ' ' A' ' 127' ' ' ASP . 30.1 m -83.78 -14.45 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 126' ' ' VAL . 4.9 p-10 47.07 51.53 12.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -53.93 -34.13 58.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.786 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.4 mp -74.81 -27.57 60.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.1 t -87.23 16.26 5.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.7 t -129.76 12.78 5.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 63.7 mt -79.71 -31.2 41.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 144.59 109.59 0.66 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.512 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -83.7 145.28 28.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 40.0 p -145.75 105.47 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -168.44 146.55 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 74.7 p -131.07 149.44 52.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.0 m -79.68 -51.63 8.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 117.43 -101.22 0.92 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 114.91 3.85 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.371 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 87.9 p -136.31 112.17 9.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.785 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 96.6 p -121.11 156.68 31.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.475 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.1 p -91.45 115.11 27.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m 39.13 48.84 1.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.93 87.7 0.38 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -120.06 130.94 54.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.799 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -120.88 124.4 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.809 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 8' ' ' GLN . . . 158.11 -67.33 0.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.432 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 7' ' ' GLY . 13.5 pt20 34.43 41.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -134.76 116.43 14.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.417 HG13 ' N ' ' A' ' 11' ' ' SER . 2.7 tp -53.68 142.69 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.417 ' N ' HG13 ' A' ' 10' ' ' ILE . 83.4 p -96.58 142.12 29.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 13' ' ' GLU . 9.9 mt -112.28 -50.28 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' LEU . 11.5 pt-20 -37.56 147.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.466 ' CG2' ' HG2' ' A' ' 39' ' ' GLN . 46.0 mt -64.49 132.54 30.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -106.4 134.36 49.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -92.06 106.09 18.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -110.19 120.55 42.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.487 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 0.7 OUTLIER -104.21 97.51 11.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.56 0.695 . . . . 0.0 110.921 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 89.79 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.743 2.296 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -101.18 140.95 34.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.0 m -140.94 135.0 30.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -128.94 155.18 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.5 t70 67.9 50.98 0.8 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 26.8 m -122.71 93.55 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -52.11 127.54 21.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.6 p -69.4 -177.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.424 ' CA ' ' O ' ' A' ' 81' ' ' GLY . . . -48.2 -56.54 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -64.57 -48.42 75.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.38 54.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.76 110.54 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HA ' ' C ' ' A' ' 24' ' ' VAL . . . -68.05 116.71 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.073 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' CD2' HG22 ' A' ' 85' ' ' VAL . 3.3 mm? -112.42 165.48 12.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.42 HG21 ' CE2' ' A' ' 123' ' ' TYR . 8.4 m -126.1 107.24 10.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.2 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.437 HG22 ' CG1' ' A' ' 122' ' ' VAL . 53.5 t -109.31 111.33 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.9 m -59.28 -48.82 80.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.48 142.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.525 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.6 t -149.67 107.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.093 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.98 151.33 48.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.466 ' HG2' ' CG2' ' A' ' 14' ' ' ILE . 7.5 tt0 -106.91 128.39 54.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.93 159.73 28.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -149.95 146.42 27.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 27.7 mm -67.68 124.19 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.412 ' HE1' ' C ' ' A' ' 112' ' ' ILE . 6.1 mtm -64.55 176.09 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.9 160.41 14.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -91.08 36.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -50.35 -39.2 45.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 49' ' ' LEU . 7.3 mm-40 -125.48 179.71 5.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -39.65 92.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -79.87 -11.87 59.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.25 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 49' ' ' LEU . 4.2 p -54.59 -49.08 69.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.88 -31.23 11.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -38.72 -61.97 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -71.65 -38.5 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -52.77 -34.59 53.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 57' ' ' LEU . 24.2 m-85 -98.73 -54.42 3.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' PHE . 18.0 mt -35.29 152.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 82.88 -30.46 3.21 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.453 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -93.32 179.31 5.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.322 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -103.27 164.67 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.8 m -50.89 -47.16 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -46.13 -54.64 8.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -42.84 -63.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.2 mp -42.58 -61.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -42.77 -45.12 4.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -66.6 -47.85 71.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.8 t -52.76 -58.42 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.1 -57.42 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.9 tp -45.26 -46.52 12.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -57.75 -44.44 86.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.421 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 23.1 m -48.57 -62.37 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.0 mt -59.42 -48.56 81.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -47.85 -60.27 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -41.69 -57.74 3.26 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.421 ' CD2' ' O ' ' A' ' 71' ' ' THR . 96.9 m-70 -51.24 -44.64 61.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 11.5 tp -44.39 -47.03 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.3 tmm_? -57.98 -69.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.782 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -38.24 -60.97 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.4 mm -52.09 -34.96 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 77' ' ' ARG . 5.8 tt -69.41 -53.95 16.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.424 ' O ' ' CA ' ' A' ' 27' ' ' ALA . . . -45.88 -55.99 6.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 t -60.65 -21.7 63.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 0.0 111.133 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.413 HD22 ' CG1' ' A' ' 88' ' ' ILE . 7.4 tp -91.02 156.68 17.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 67.5 p -104.25 144.08 32.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.445 HG22 ' CD2' ' A' ' 32' ' ' LEU . 4.6 t -38.82 -46.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -55.11 -67.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -39.95 -54.34 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.413 ' CG1' HD22 ' A' ' 83' ' ' LEU . 78.2 mt -45.91 -54.39 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' GLN . 34.0 m-85 -64.8 -63.81 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' TYR . 25.7 mm100 -36.75 -59.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -122.2 112.78 18.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -85.87 -43.15 13.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.28 -59.99 3.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -42.59 -63.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -40.12 -60.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.502 ' HB1' ' CD1' ' A' ' 119' ' ' ILE . . . -52.81 -63.18 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' ALA . 15.5 ttmm -35.71 -51.15 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.3 mp -53.8 -41.27 67.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 96' ' ' ALA . 42.3 t -63.66 -55.15 24.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.179 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.469 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 9.2 ptt180 -62.44 -24.81 67.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 53.0 mt-10 -73.86 -46.51 44.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 p -73.77 -24.45 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.187 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -85.62 -44.24 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.464 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -34.27 -60.61 0.48 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.589 0.709 . . . . 0.0 111.07 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.2 Cg_endo -69.84 -21.58 32.91 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.618 2.212 . . . . 0.0 112.307 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 103' ' ' ALA . 11.9 t70 -74.89 -59.87 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.458 HG21 ' N ' ' A' ' 108' ' ' GLY . 17.5 m -46.52 -36.2 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.458 ' N ' HG21 ' A' ' 107' ' ' VAL . . . -48.16 -34.26 12.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.5 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -53.33 -57.16 11.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -67.99 -33.59 74.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.03 33.84 1.45 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.412 ' C ' ' HE1' ' A' ' 43' ' ' MET . 50.7 mm -121.48 142.25 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 111.132 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -114.96 134.61 55.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.424 ' C ' HD12 ' A' ' 114' ' ' ILE . 1.9 pp -85.19 151.29 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 67.7 mt -106.29 -45.71 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.6 t -168.28 160.44 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.469 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 1.5 t80 -140.78 121.51 14.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.416 ' C ' HD12 ' A' ' 119' ' ' ILE . 1.9 m -133.4 165.28 25.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.502 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.3 OUTLIER -106.18 114.84 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -67.81 -65.29 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -160.23 137.0 9.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.437 ' CG1' HG22 ' A' ' 34' ' ' VAL . 33.2 m -118.79 125.44 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.42 ' CE2' HG21 ' A' ' 33' ' ' THR . 1.8 p90 -136.85 164.3 28.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 0.4 OUTLIER -100.81 112.32 24.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -65.27 -27.11 68.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.9 m -80.17 -16.83 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.08 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.47 53.3 9.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -90.45 -43.88 9.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 16.9 mt -55.8 -35.52 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.3 t -73.45 -44.73 57.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.3 t -47.2 -42.69 20.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 133' ' ' GLY . 76.3 mt -54.44 -33.47 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 132' ' ' LEU . . . 34.42 78.34 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.514 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -45.17 110.8 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 47.4 p -140.94 147.04 38.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -112.93 41.26 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 25.1 p -155.27 171.19 20.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 99.4 p -124.05 151.42 43.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -102.45 131.27 10.54 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 177.17 5.88 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.751 2.301 . . . . 0.0 112.323 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 30.9 p -153.0 172.94 16.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 80.9 p -126.56 171.3 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -158.54 162.18 37.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 4' ' ' GLY . 88.4 p -115.86 88.7 2.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.79 62.1 0.57 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.4 p -157.03 150.24 23.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -120.71 128.06 52.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.92 134.44 3.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.42 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -126.74 42.4 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.761 0.315 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -87.34 150.32 23.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 tt -57.44 144.63 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 t -111.63 142.05 44.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -116.93 -30.1 5.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.88 149.4 8.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.472 HG22 ' NE2' ' A' ' 39' ' ' GLN . 54.5 mt -60.28 120.31 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 ptt? -98.76 126.5 44.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -80.34 114.36 19.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 mt -124.63 110.91 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.55 96.74 9.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 114.81 3.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.274 . . . . 0.0 112.314 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -104.98 158.55 16.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -144.39 107.92 4.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -116.33 155.12 29.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.56 44.81 14.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.5 m -116.11 106.46 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.11 117.18 5.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.1 p -62.13 -175.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.191 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.98 -51.93 53.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -70.86 -36.2 72.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.468 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 126.6 51.05 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.441 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.463 HG23 ' CG ' ' A' ' 28' ' ' GLU . 92.3 t -126.1 113.38 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 111.141 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' C ' HD22 ' A' ' 32' ' ' LEU . . . -68.09 111.83 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 32' ' ' LEU . 4.2 mm? -114.32 164.74 13.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.467 HG23 ' CZ ' ' A' ' 123' ' ' TYR . 6.8 m -129.12 101.62 6.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.04 107.84 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.2 m -57.05 -48.55 78.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.194 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.5 139.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.514 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.465 HG11 ' N ' ' A' ' 38' ' ' ALA . 18.0 t -137.8 142.52 35.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 111.143 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.465 ' N ' HG11 ' A' ' 37' ' ' VAL . . . -159.62 166.65 30.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.478 ' CB ' ' HB2' ' A' ' 115' ' ' LEU . 5.2 mm100 -116.97 145.35 43.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.586 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 7.6 p -147.99 158.57 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.5 161.03 41.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.473 ' CD1' HD11 ' A' ' 112' ' ' ILE . 41.6 mm -91.19 93.95 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.478 ' HE1' ' N ' ' A' ' 113' ' ' GLU . 12.1 mtm -34.41 141.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.75 158.95 23.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.233 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.41 ' HA ' ' CG ' ' A' ' 49' ' ' LEU . 4.8 pt-20 -64.93 101.48 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -108.43 -27.03 10.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -173.08 108.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 53.95 49.52 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 51' ' ' VAL . 0.5 OUTLIER -56.91 -19.96 20.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -34.11 -33.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 49' ' ' LEU . 6.7 p -45.08 -49.71 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.72 -22.16 12.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.27 -60.78 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.813 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -72.65 -34.14 67.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -58.26 -26.69 63.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 57' ' ' LEU . 23.8 m-85 -104.36 -50.61 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' PHE . 28.6 mt -37.83 138.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.41 -48.69 3.39 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -60.86 178.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.327 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 63' ' ' ASP . 29.3 m-80 -107.96 142.9 37.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 60' ' ' ASN . 2.8 m -33.72 -48.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -54.72 -44.76 73.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 60' ' ' ASN . 8.8 t0 -52.24 -49.32 64.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 65' ' ' LYS . 4.5 mp -64.02 -64.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' ILE . 34.9 mtpt -36.99 -40.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -68.65 -59.27 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.6 t -41.75 -52.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.83 -56.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tp -46.31 -38.57 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -54.22 -60.7 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.513 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 87.6 m -39.12 -56.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.61 -58.39 7.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -39.4 -62.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.4 -55.07 9.47 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.513 ' CD2' ' O ' ' A' ' 71' ' ' THR . 75.0 m-70 -51.26 -50.44 59.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.792 0.329 . . . . 0.0 110.839 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.5 tp -48.34 -43.5 33.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -65.05 -40.05 94.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.9 t -66.88 -59.7 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.1 mm -49.37 -40.2 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.3 -51.63 55.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -43.58 -52.17 6.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.8 t -68.31 -18.76 64.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.412 HD21 ' CG1' ' A' ' 88' ' ' ILE . 7.0 tp -93.57 141.7 28.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.8 p -80.48 139.25 36.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.495 HG13 ' N ' ' A' ' 86' ' ' GLU . 7.4 p -43.49 -33.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.495 ' N ' HG13 ' A' ' 85' ' ' VAL . 28.2 mt-10 -71.45 -47.8 53.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -55.1 -43.31 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.412 ' CG1' HD21 ' A' ' 83' ' ' LEU . 53.9 mt -51.61 -40.88 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' GLN . 30.4 m-85 -72.91 -51.57 18.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 89' ' ' TYR . 5.9 mm-40 -33.92 -63.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.66 105.51 4.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 94' ' ' GLN . 77.3 mtt180 -72.4 -57.54 4.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' ARG . 1.6 m-20 -37.52 -31.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 92' ' ' ARG . 57.6 tp60 -77.98 -47.75 17.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 92' ' ' ARG . 6.6 t80 -55.75 -50.22 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.7 -41.52 92.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -50.06 -35.02 23.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.0 mp -70.52 -35.13 73.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 37.7 t -66.11 -43.36 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -75.95 -26.29 56.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -74.55 -41.59 60.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.3 p -77.7 -25.07 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 104' ' ' ALA . . . -90.11 -47.2 7.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 103' ' ' ALA . . . -29.32 -59.07 0.25 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.634 0.731 . . . . 0.0 111.1 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.3 Cg_endo -69.81 -34.12 15.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 103' ' ' ALA . 2.8 t70 -63.09 -53.17 57.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' GLY . 15.9 m -59.14 -48.06 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -36.13 -48.76 1.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -44.95 -50.27 10.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.9 mtm -68.13 -41.61 81.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 125.53 31.16 0.85 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.586 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 50.6 mm -121.93 136.16 59.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.311 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.478 ' N ' ' HE1' ' A' ' 43' ' ' MET . 21.9 tt0 -113.18 137.16 51.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.4 pp -94.66 128.94 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.479 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 1.7 mm? -74.22 -51.26 15.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.976 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.7 m -165.08 -178.25 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -148.42 149.51 31.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -165.22 164.57 20.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 48.1 mm -103.17 114.68 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.441 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 3.0 tppt? -68.37 -68.14 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -152.15 145.69 24.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.4 p -131.48 119.85 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.467 ' CZ ' HG23 ' A' ' 33' ' ' THR . 4.6 p90 -137.13 155.08 50.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -101.37 113.55 26.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -60.86 -39.9 90.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 27.6 m -69.76 -22.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.411 ' O ' ' CB ' ' A' ' 131' ' ' SER . 1.1 m-20 56.65 42.61 26.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 129' ' ' LEU . 0.6 OUTLIER -80.99 -52.43 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 -179.855 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.458 ' CD2' HG23 ' A' ' 85' ' ' VAL . 3.9 pp -77.51 -39.24 46.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.9 m -68.62 -33.71 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 127' ' ' ASP . 1.0 OUTLIER -101.1 41.47 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.768 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 13.1 mt -71.37 -34.3 70.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -159.26 -101.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -132.91 168.99 17.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.826 0.346 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 14.8 t -162.06 139.58 8.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -92.46 -27.26 17.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 81.2 p -129.63 114.4 15.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.187 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.2 t -70.35 121.27 17.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.781 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 150.84 137.81 2.74 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 113.16 3.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.648 2.232 . . . . 0.0 112.325 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.0 m -137.67 131.23 31.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.7 t -117.16 -55.01 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -126.42 128.7 47.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.828 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.3 t -62.24 109.79 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.827 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.67 -172.17 13.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -128.16 151.8 48.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -171.28 172.3 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' GLN . . . -161.02 88.37 0.11 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' GLY . 2.8 tt0 34.02 41.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -159.16 144.61 16.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.1 tt -52.9 157.25 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 t -114.44 99.06 7.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.995 0.426 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' GLU . 6.3 tt -70.35 -44.59 67.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' LEU . 11.1 pt-20 -34.53 148.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.9 mt -50.53 151.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.463 ' HG3' ' CG1' ' A' ' 40' ' ' VAL . 3.0 ptt? -129.09 132.56 47.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 m -96.49 109.73 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -111.76 125.38 53.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -105.06 97.49 13.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.676 0.75 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 96.75 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.776 2.318 . . . . 0.0 112.368 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 ptt-85 -108.42 140.21 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.809 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 m -143.31 113.79 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -106.55 155.85 19.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.8 t70 67.63 45.77 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.816 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.5 m -104.76 109.3 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.08 105.97 1.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.404 HG22 ' CG2' ' A' ' 85' ' ' VAL . 71.6 p -56.64 -176.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.91 -47.22 68.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.86 -40.79 92.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.47 50.23 0.2 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.516 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 t -132.69 125.92 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.43 123.48 22.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -121.07 165.86 14.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.509 HG23 ' CE2' ' A' ' 123' ' ' TYR . 2.9 m -122.18 114.72 21.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.198 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.5 t -124.79 110.79 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.5 m -60.45 -54.17 48.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.93 142.83 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.419 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.6 t -146.96 118.1 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.99 153.16 48.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -105.21 152.1 23.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.529 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 7.1 p -155.59 158.22 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.46 ' HG2' ' CD1' ' A' ' 115' ' ' LEU . 4.5 ptmt -158.72 148.58 19.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.47 HG13 ' CD1' ' A' ' 112' ' ' ILE . 1.1 mp -67.97 138.29 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.1 mtt -70.15 -175.83 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.77 159.62 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.178 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 46' ' ' LYS . 3.0 pt-20 -97.48 24.05 7.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -34.08 -36.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' LEU . 4.2 tp10 -132.53 173.76 10.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 47' ' ' GLU . 77.5 mt -34.31 94.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.496 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -92.19 31.74 1.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.09 -14.45 60.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.02 -32.98 50.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.48 ' HB3' ' CE2' ' A' ' 56' ' ' PHE . . . -121.32 19.82 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.493 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -88.97 -34.47 16.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.414 ' N ' ' HG ' ' A' ' 53' ' ' CYS . 5.6 tp10 -106.26 -22.6 12.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.485 ' OE1' ' CB ' ' A' ' 110' ' ' MET . 2.9 tt0 -68.62 -27.82 66.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 22.8 m-85 -106.88 -63.89 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 53' ' ' CYS . 81.6 mt -40.6 -60.59 1.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -37.59 -33.4 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -103.74 168.86 8.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -73.23 170.02 15.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.3 m -65.75 -18.38 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -74.27 -43.23 57.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.58 -56.41 19.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.433 HG13 ' CD1' ' A' ' 56' ' ' PHE . 2.6 mp -38.5 -66.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -44.76 -41.57 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 67' ' ' VAL . 6.5 m-80 -68.76 -66.64 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' ASN . 57.8 t -35.24 -49.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.37 -48.71 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.3 tp -55.58 -52.32 64.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -48.89 -43.87 39.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 48.1 m -51.66 -63.99 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.3 mt -58.71 -47.97 82.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -51.53 -68.78 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.42 -39.09 1.07 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.568 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -70.64 -42.9 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.371 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.2 tp -43.87 -53.45 6.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 78' ' ' SER . 28.6 ttt-85 -65.83 -64.45 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 77' ' ' ARG . 1.8 m -36.22 -47.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' LEU . 11.1 mm -73.41 -56.01 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ILE . 7.9 tt -35.87 -42.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.56 91.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 79' ' ' ILE . 69.7 p -50.25 -32.42 16.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 111.219 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.4 mt -97.24 167.46 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 85' ' ' VAL . 68.4 p -105.55 149.06 26.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 84' ' ' THR . 19.0 t -36.59 -48.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -56.4 -69.52 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -39.41 -57.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 71.1 mt -39.93 -49.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.212 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 90' ' ' GLN . 28.1 m-85 -67.91 -54.06 21.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 89' ' ' TYR . 15.9 mm-40 -34.54 -59.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -133.75 91.74 2.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -56.34 -43.58 79.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.5 -56.04 26.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -41.48 -44.39 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.84 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.802 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.89 -42.02 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -48.31 -44.76 34.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.4 mt -70.27 -29.79 66.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.979 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 87.9 t -72.73 -35.73 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.462 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 7.0 ptt180 -85.25 -29.76 24.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 100' ' ' ARG . 30.4 mm-40 -70.81 -33.05 70.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.1 p -79.74 -32.24 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -80.93 -36.87 30.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.476 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -34.43 -60.26 0.52 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.543 0.687 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 54.0 Cg_endo -69.75 -21.81 33.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.621 2.214 . . . . 0.0 112.365 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 103' ' ' ALA . 14.2 t0 -75.59 -60.73 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.44 ' CG1' ' CE ' ' A' ' 110' ' ' MET . 2.1 m -51.66 -23.78 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.38 -23.81 62.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -65.06 -52.81 53.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.719 0.295 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.485 ' CB ' ' OE1' ' A' ' 55' ' ' GLN . 11.8 ptt? -70.47 -31.72 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.37 19.97 4.08 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.529 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 9.8 mm -111.06 145.6 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -123.33 136.7 54.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.471 ' O ' ' CD1' ' A' ' 114' ' ' ILE . 2.3 pp -79.59 126.49 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.464 ' N ' HD13 ' A' ' 115' ' ' LEU . 10.8 mp -87.56 -52.64 5.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 t -154.79 150.05 27.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.462 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 1.7 t80 -137.88 115.64 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.8 m -132.19 171.84 13.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.8 mm -107.51 137.63 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -92.52 -69.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -148.69 144.97 27.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.4 p -132.6 118.19 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.128 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.509 ' CE2' HG23 ' A' ' 33' ' ' THR . 5.8 p90 -132.95 162.99 30.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.49 116.45 31.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -68.12 -40.18 82.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.4 m -71.66 -14.13 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 45.44 46.25 10.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.44 -42.93 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.5 mp -81.87 -34.71 29.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.1 t -58.6 -30.14 66.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.6 m -57.33 -45.41 84.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 20.3 mt -54.7 -32.87 60.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -143.53 80.69 0.23 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.62 17.94 22.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 64.7 p -90.23 84.62 6.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -114.79 148.34 38.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 19.8 m -142.56 136.62 29.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.4 t -142.92 151.13 40.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 140.98 83.88 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 177.5 5.51 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.675 2.25 . . . . 0.0 112.394 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.6 t -134.96 152.8 52.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.8 t -108.93 143.31 38.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.476 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -86.8 148.89 25.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -165.79 177.82 6.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.17 124.36 0.7 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.6 p -128.07 110.07 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.3 p -70.68 -45.02 65.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.37 -125.99 5.75 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 61.23 35.84 18.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.946 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -39.63 153.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' ARG . 8.1 tt -35.67 141.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.176 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 p -152.8 128.55 10.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.9 104.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -143.83 164.64 29.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.0 mt -87.76 121.77 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.172 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.3 mtm -100.32 129.07 46.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.5 m -90.28 106.61 18.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 17' ' ' LEU . 10.2 mp -115.39 119.25 35.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.36 97.6 23.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.722 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 112.08 2.99 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.713 2.275 . . . . 0.0 112.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -114.23 153.62 29.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.9 p -139.0 130.91 27.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 37.7 mt-10 -126.17 160.91 28.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.4 p30 46.62 47.27 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 m -118.24 119.25 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 31' ' ' ALA . 1.9 mm-40 -80.06 152.6 29.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' GLY . 4.2 p -100.76 176.11 5.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -36.12 -39.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -76.26 -41.76 47.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' THR . . . 124.59 15.1 3.35 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 t -92.98 121.71 43.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 0.0 111.077 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.457 ' N ' ' OE1' ' A' ' 25' ' ' GLU . . . -69.79 119.38 13.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' ' 31' ' ' ALA . 3.3 mm? -115.49 158.93 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.479 HG23 ' CE2' ' A' ' 123' ' ' TYR . 2.2 m -120.93 103.95 9.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.79 126.53 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.7 m -80.35 -54.11 6.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.0 146.05 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.4 t -148.98 125.44 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 111.155 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.74 155.68 43.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -108.95 137.68 46.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.452 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 9.8 p -136.35 157.86 37.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.7 pttt -151.38 156.3 40.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mt -87.3 135.76 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.459 ' CE ' ' HB2' ' A' ' 113' ' ' GLU . 62.1 mtm -88.27 177.69 6.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.426 ' C ' HD23 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -140.88 -178.91 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.094 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.473 ' CG ' HD21 ' A' ' 49' ' ' LEU . 15.9 mm-40 -140.26 135.44 32.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -69.64 -4.25 18.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -122.93 -60.62 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 13.8 mt -159.31 149.69 19.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -131.8 18.57 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.86 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.66 -33.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.427 ' CG1' HD12 ' A' ' 49' ' ' LEU . 2.7 p -46.87 -42.16 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.461 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . . . -107.74 -36.51 6.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 4.6 m -58.5 -47.93 82.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -78.3 -11.06 59.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -90.38 -16.89 28.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.414 ' CD1' HG13 ' A' ' 64' ' ' ILE . 26.6 m-85 -115.5 -42.97 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.7 mt -40.87 106.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.95 -41.22 1.28 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.425 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.13 -177.18 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' ASP . 32.3 m120 -100.43 151.17 21.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.1 m -38.61 -53.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -48.39 -38.74 20.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' ASN . 12.5 t0 -59.74 -45.3 92.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.414 HG13 ' CD1' ' A' ' 56' ' ' PHE . 2.8 mp -58.39 -58.15 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.54 -45.83 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -56.96 -63.26 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.9 t -40.65 -59.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.9 t -57.05 -44.48 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.2 tp -55.31 -41.1 71.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -59.37 -35.85 74.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.514 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 26.6 m -63.18 -60.04 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.463 HD21 ' CB ' ' A' ' 103' ' ' ALA . 96.2 mt -62.97 -44.33 96.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -60.43 -52.53 64.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.91 -40.98 27.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 71' ' ' THR . 77.1 m-70 -70.31 -52.12 25.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' HIS . 12.0 tp -35.39 -52.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -65.41 -39.57 92.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 75' ' ' HIS . 27.9 p -60.27 -46.64 89.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.7 mm -66.79 -45.51 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.3 -49.5 75.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -44.97 -51.05 8.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.2 t -75.46 -13.91 60.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 tp -98.42 123.71 42.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 38.7 p -65.88 141.0 58.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 86' ' ' GLU . 7.4 p -45.77 -39.7 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.439 ' N ' HG11 ' A' ' 85' ' ' VAL . 6.7 mm-40 -57.52 -36.07 71.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.19 -53.36 25.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.6 mp -43.88 -47.64 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -72.2 -52.71 15.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -41.8 -61.6 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.92 107.84 8.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -81.06 -52.41 7.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.89 -35.99 16.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.469 ' NE2' HD13 ' A' ' 98' ' ' LEU . 21.1 tm0? -71.41 -40.75 70.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -64.22 -35.14 79.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.29 -15.25 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -81.88 -51.41 8.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.469 HD13 ' NE2' ' A' ' 94' ' ' GLN . 5.4 mp -51.18 -17.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.2 t -89.93 -65.48 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.558 ' HB3' ' CD2' ' A' ' 117' ' ' PHE . 9.5 ptt180 -56.72 -24.71 51.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -75.32 -32.72 61.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.0 p -89.0 -22.25 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.463 ' CB ' HD21 ' A' ' 72' ' ' LEU . . . -90.76 -29.59 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.47 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -50.39 -60.76 4.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 54.1 Cg_endo -69.71 -1.78 9.02 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.76 -60.15 1.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.8 m -53.24 -37.97 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -45.22 -51.26 9.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -48.15 -49.33 32.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 45.1 mtm -65.11 -34.16 77.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.25 0.65 7.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.452 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 35.4 mm -101.24 142.86 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.459 ' HB2' ' CE ' ' A' ' 43' ' ' MET . 2.8 tp10 -126.05 132.3 51.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.428 ' C ' HD13 ' A' ' 114' ' ' ILE . 2.3 pp -80.44 142.98 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 95.5 mt -96.65 -51.36 4.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.8 t -156.6 168.68 26.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 100' ' ' ARG . 1.9 t80 -146.75 129.58 16.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.8 m -144.4 172.33 13.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 27.6 mm -110.88 125.32 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -72.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -139.89 145.03 37.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.8 t -139.98 110.12 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.479 ' CE2' HG23 ' A' ' 33' ' ' THR . 1.5 p90 -128.97 171.02 12.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 17.8 p-10 -113.81 119.68 38.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -61.3 -53.32 58.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.6 m -73.21 3.42 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.2 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 43.8 36.2 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.659 ' CD2' ' CD1' ' A' ' 129' ' ' LEU . 11.1 t80 -45.68 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.659 ' CD1' ' CD2' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -61.42 -49.2 77.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.961 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.9 m -42.06 -33.14 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.0 m -82.17 -40.62 21.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.812 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 63.4 mt -52.03 -34.53 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 97.32 77.87 1.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.508 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -122.41 11.78 10.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 32.0 p -137.34 107.91 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -60.33 89.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 13.0 t -80.76 153.3 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.2 t -169.68 146.35 3.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 130.09 144.46 5.59 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 173.9 10.27 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 10.6 t -109.67 166.67 10.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.795 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 49.0 p -165.11 173.07 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -111.94 89.33 3.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.95 0.405 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t -81.65 44.83 0.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.23 77.01 0.18 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 p -109.23 119.52 39.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -133.9 113.3 12.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.28 95.0 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.441 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.8 41.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.765 0.317 . . . . 0.0 110.947 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.0 ttm-85 -106.98 133.68 51.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.3 tt -55.34 150.51 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.1 p -103.29 105.91 16.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 tp -85.98 -48.0 9.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -40.28 153.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.5 mt -55.79 127.76 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -108.6 137.03 47.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.1 m -94.05 110.08 21.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.43 HD13 ' N ' ' A' ' 17' ' ' LEU . 9.2 mp -113.52 113.35 25.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -106.08 97.46 15.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 113.01 3.23 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -114.03 132.85 55.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.26 138.96 48.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 54.2 mt-10 -128.85 151.14 49.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 2.9 p-10 46.68 49.89 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.7 m -105.01 105.75 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -60.38 126.86 29.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.456 HG22 ' CD2' ' A' ' 80' ' ' LEU . 41.4 p -75.78 -175.2 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.17 -56.29 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.419 ' CD ' HG21 ' A' ' 30' ' ' VAL . 13.6 pt-20 -66.27 -43.45 86.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.42 41.8 0.15 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.539 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.419 HG21 ' CD ' ' A' ' 28' ' ' GLU . 96.5 t -114.12 124.03 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 111.156 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.42 ' C ' HD22 ' A' ' 32' ' ' LEU . . . -71.3 120.29 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 32' ' ' LEU . 4.2 mm? -120.37 164.91 15.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.545 HG23 ' CE2' ' A' ' 123' ' ' TYR . 14.7 m -128.12 112.83 15.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.77 116.22 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 m -65.99 -52.51 48.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.55 146.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 24.3 t -151.62 119.74 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.095 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.52 142.56 33.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -89.4 154.96 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.457 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 8.7 p -157.32 144.69 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' N ' HG22 ' A' ' 40' ' ' VAL . 21.6 pttt -137.9 160.85 38.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.403 ' O ' ' O ' ' A' ' 43' ' ' MET . 47.2 mm -81.12 112.49 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.415 ' HE1' ' C ' ' A' ' 112' ' ' ILE . 6.8 mtt -45.71 172.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.73 166.08 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.26 126.88 55.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -102.54 -49.44 3.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -121.31 -52.5 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 tp -153.15 125.93 8.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -117.47 33.34 5.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.07 -24.44 67.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.043 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 52' ' ' ALA . 4.4 p -54.71 -47.97 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.436 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . . . -99.5 -40.84 7.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.3 m -44.17 -65.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -61.63 -36.31 80.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -53.16 -32.16 46.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.52 ' CD1' HG13 ' A' ' 64' ' ' ILE . 6.3 m-85 -99.57 -52.16 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 56' ' ' PHE . 24.0 mt -33.28 140.48 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.43 -37.93 3.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.488 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -99.39 171.53 7.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.768 0.318 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -87.68 166.0 14.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.7 m -51.13 -25.15 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.458 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 56.6 mt-30 -58.35 -50.45 73.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.28 -56.26 8.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.52 HG13 ' CD1' ' A' ' 56' ' ' PHE . 5.3 mp -52.13 -70.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -38.34 -42.32 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 62' ' ' GLN . 53.5 m-80 -66.62 -62.16 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.4 t -40.0 -61.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.8 t -53.73 -48.48 60.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -53.76 -47.31 70.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -53.31 -44.55 68.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.436 HG23 ' CG1' ' A' ' 107' ' ' VAL . 62.7 m -50.06 -62.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.421 HD23 ' CB ' ' A' ' 103' ' ' ALA . 26.6 mt -63.8 -53.59 48.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -44.09 -59.2 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.02 -48.73 45.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -59.79 -38.45 81.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.374 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.3 tp -50.23 -45.12 53.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -74.42 -34.63 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.2 p -63.25 -50.22 71.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.478 ' O ' ' C ' ' A' ' 80' ' ' LEU . 36.5 mm -67.13 -65.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 79' ' ' ILE . 6.1 tt -31.55 -40.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . -42.95 -67.7 0.9 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 83' ' ' LEU . 5.5 t -46.49 -34.77 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.132 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.459 ' N ' HG22 ' A' ' 82' ' ' THR . 32.7 mt -79.98 140.09 36.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.6 p -87.26 145.79 26.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.407 HG11 ' N ' ' A' ' 86' ' ' GLU . 7.7 p -39.78 -43.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.407 ' N ' HG11 ' A' ' 85' ' ' VAL . 2.9 tt0 -61.58 -68.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -38.99 -53.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.421 HD12 ' CD2' ' A' ' 80' ' ' LEU . 70.2 mt -41.99 -62.18 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -52.56 -51.4 59.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -49.8 -64.34 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.18 78.82 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -80.85 -24.35 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' N ' ' HG2' ' A' ' 92' ' ' ARG . 0.9 OUTLIER -56.72 -51.15 69.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -61.18 -48.56 80.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -41.39 -55.87 2.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.484 ' HB3' ' CD1' ' A' ' 117' ' ' PHE . . . -44.38 -47.31 9.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 100' ' ' ARG . 10.9 ttmm -53.46 -57.49 10.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.1 mp -41.22 -27.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.4 t -84.9 -40.93 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.463 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 21.5 ptt85 -67.44 -36.37 81.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.461 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 0.8 OUTLIER -70.77 -47.02 61.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.37 -27.75 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 104' ' ' ALA . . . -85.87 -39.83 16.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.471 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -34.0 -60.11 0.49 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.55 0.691 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 54.2 Cg_endo -69.76 -32.38 18.7 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -61.11 -53.18 60.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.436 ' CG1' HG23 ' A' ' 71' ' ' THR . 16.7 m -61.95 -43.22 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -37.81 -52.23 1.99 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.465 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -42.6 -51.15 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 51.0 mtm -65.85 -43.17 89.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.818 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 125.34 33.32 0.73 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.457 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 20.3 mm -123.69 135.47 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.782 0.325 . . . . 0.0 111.183 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 112' ' ' ILE . 3.2 tp10 -110.04 131.76 54.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.41 HD11 ' NH1' ' A' ' 100' ' ' ARG . 2.3 pp -89.6 140.56 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -89.58 -55.72 3.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.983 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 t -158.91 174.56 14.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.816 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -147.95 119.33 7.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.0 m -135.07 170.17 16.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.471 HG21 ' N ' ' A' ' 120' ' ' LYS . 23.9 mm -100.29 137.92 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.471 ' N ' HG21 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -99.5 -52.24 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -162.16 142.91 10.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.3 t -137.48 119.98 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.545 ' CE2' HG23 ' A' ' 33' ' ' THR . 2.2 p90 -136.02 171.31 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 124' ' ' ASP . 21.9 p-10 -110.03 120.06 41.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -74.42 -42.56 58.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 17.9 m -64.13 -17.54 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 51.83 39.2 25.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -78.29 -55.22 5.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.7 pp -73.57 -41.62 62.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.2 t -60.78 -38.21 84.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.2 m -55.15 -50.85 68.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 27.4 mt -53.47 -33.38 53.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 41.33 84.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -73.66 85.34 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 20.5 m -112.2 39.46 2.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -72.4 172.87 9.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 59.8 m -150.09 145.59 26.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.4 t -140.94 154.62 46.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 101.87 146.25 17.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.443 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 110.83 2.65 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.0 m -116.65 121.18 40.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.9 p -154.38 154.61 33.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.546 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -134.73 155.79 49.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.839 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -137.97 141.01 40.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.8 116.09 1.54 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.439 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 t -154.41 153.3 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.949 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 m -86.02 101.94 13.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.04 127.55 1.53 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.433 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.501 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -132.74 84.77 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -165.13 141.33 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 11' ' ' SER . 6.1 tp -49.15 146.26 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.197 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.427 ' N ' HG13 ' A' ' 10' ' ' ILE . 19.6 t -82.23 122.37 27.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.2 tp -126.68 -45.75 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -50.46 161.76 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.43 HG21 ' N ' ' A' ' 15' ' ' MET . 13.2 mt -75.68 140.95 16.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.43 ' N ' HG21 ' A' ' 14' ' ' ILE . 14.4 ptt? -118.78 126.04 50.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 m -79.47 108.46 13.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.43 ' CD1' HG11 ' A' ' 40' ' ' VAL . 81.3 mt -114.04 109.85 19.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.74 99.18 9.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 101.19 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.708 2.272 . . . . 0.0 112.374 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -106.29 129.6 54.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.3 m -123.86 111.98 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -107.77 154.78 21.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 59.04 43.04 18.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 21.7 m -104.05 102.41 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.58 114.42 4.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.2 p -76.09 179.96 5.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -40.85 -54.82 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -59.51 -29.36 67.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' THR . . . 112.93 -6.13 25.65 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.456 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.9 t -75.45 130.31 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.89 119.4 23.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 32' ' ' LEU . 4.2 mm? -115.08 165.62 12.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.77 104.8 8.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.459 HG22 ' CG1' ' A' ' 122' ' ' VAL . 78.2 t -108.56 113.09 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.0 m -65.25 -54.07 34.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.191 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.01 141.63 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 t -145.38 112.72 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.186 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -131.62 153.71 49.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -105.32 145.32 30.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.512 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 7.5 p -147.92 153.04 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -143.76 158.43 43.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.7 mm -81.11 123.72 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.6 mtm -64.64 143.88 57.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.56 162.51 23.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -92.46 27.45 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -41.99 -39.67 1.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' LEU . 10.4 mm-40 -129.27 -177.68 4.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' GLU . 41.7 mt -36.68 95.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -102.54 32.79 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.8 6.81 14.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.156 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.2 p -91.68 -27.26 4.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.63 -40.75 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 5.0 t -40.8 -59.29 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -70.29 -31.67 69.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -61.16 -31.16 70.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 57' ' ' LEU . 18.7 m-85 -99.31 -51.58 3.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' PHE . 14.3 mt -34.23 131.0 0.32 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.05 -25.32 27.42 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.489 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -97.5 160.5 14.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -83.46 164.83 19.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 23.6 m -59.16 -19.51 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -74.48 -52.64 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -48.79 -46.99 42.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.403 HG12 ' CD1' ' A' ' 56' ' ' PHE . 6.0 mt -54.86 -70.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -39.03 -36.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -72.33 -48.6 40.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.8 t -51.12 -49.09 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.7 t -65.09 -48.35 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.3 tp -58.28 -34.48 70.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -62.07 -39.56 92.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.471 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 82.7 m -60.15 -56.85 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.15 -41.92 98.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.1 -58.83 6.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -43.96 -45.76 7.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.421 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.569 ' CD2' ' CB ' ' A' ' 103' ' ' ALA . 93.3 m-70 -60.18 -36.63 78.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.9 tp -57.84 -61.9 2.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -54.23 -42.23 69.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -61.07 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.43 HG23 ' CE1' ' A' ' 95' ' ' PHE . 22.8 mm -54.35 -32.59 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.4 tt -72.06 -42.2 66.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -49.81 -53.88 20.11 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.9 t -68.26 -26.56 65.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 111.124 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.552 HD22 ' CD1' ' A' ' 95' ' ' PHE . 7.4 tp -83.66 134.63 34.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.0 p -72.95 154.36 40.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.3 p -59.67 -42.73 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -61.02 -35.32 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -68.46 -50.28 53.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.4 mt -46.72 -37.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 90' ' ' GLN . 32.9 m-85 -76.19 -46.05 30.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 89' ' ' TYR . 18.7 mt-30 -38.14 -67.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.88 120.01 18.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 95' ' ' PHE . 44.0 mtm180 -87.55 -58.92 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' ARG . 1.7 p-10 -37.24 -43.23 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.444 ' NE2' HD23 ' A' ' 98' ' ' LEU . 25.1 tm0? -65.78 -40.58 92.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.552 ' CD1' HD22 ' A' ' 83' ' ' LEU . 9.3 t80 -55.96 -63.74 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.79 -40.8 14.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -51.18 -38.2 50.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.444 HD23 ' NE2' ' A' ' 94' ' ' GLN . 20.1 mt -76.21 -39.66 54.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.85 -29.22 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.451 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 7.6 ptp180 -86.85 -29.07 22.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.409 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 3.6 mm-40 -74.26 -37.81 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.504 HG13 ' CG ' ' A' ' 75' ' ' HIS . 12.9 p -72.25 -36.73 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.569 ' CB ' ' CD2' ' A' ' 75' ' ' HIS . . . -83.15 -38.2 22.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.06 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.511 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -33.35 -58.07 0.53 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 55.0 Cg_endo -69.72 -26.58 27.6 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.379 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.0 OUTLIER -70.54 -55.66 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 104' ' ' ALA . 6.1 m -48.09 -32.72 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.89 -30.76 70.37 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.98 -47.88 83.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.863 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -76.58 -30.68 57.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.33 26.8 3.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.439 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.512 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 28.3 mm -117.78 145.58 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -118.11 140.8 49.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.428 ' C ' HD12 ' A' ' 114' ' ' ILE . 1.7 pp -96.25 136.37 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.191 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.482 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 1.5 mm? -89.24 -48.76 7.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.957 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.04 157.43 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.451 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 1.6 t80 -130.66 123.42 29.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.18 168.64 14.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 41.2 mm -113.17 104.29 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -74.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -158.45 142.87 15.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.459 ' CG1' HG22 ' A' ' 34' ' ' VAL . 35.7 m -120.92 124.51 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.072 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -137.13 164.88 27.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -97.49 111.78 23.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -65.63 -30.9 71.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.35 5.1 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 41.14 53.45 3.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -85.03 -44.34 13.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 16.2 mt -58.68 -38.68 78.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.2 t -57.81 -44.52 86.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.7 t -52.32 -48.49 65.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 17.0 mt -55.46 -33.2 63.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -91.93 -84.25 1.48 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.478 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -133.2 172.3 12.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 61.0 p -117.94 99.28 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -174.96 155.43 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 138' ' ' SER . 22.4 p -73.08 -46.02 53.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 137' ' ' THR . 12.3 t -35.28 -46.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 61.14 -157.73 31.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 124.1 10.73 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.638 2.226 . . . . 0.0 112.333 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.4 m -105.76 171.49 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.7 m -161.16 172.3 16.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.935 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 m -64.56 98.29 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.912 0.387 . . . . 0.0 110.878 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -152.19 168.96 23.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.782 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.14 149.99 17.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.532 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -157.29 105.19 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m -91.23 136.25 33.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.58 136.55 4.2 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -86.24 36.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.308 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.32 106.25 13.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.0 tt -48.16 134.83 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.3 p -95.87 103.38 15.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.89 -28.7 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 14' ' ' ILE . 5.7 tp10 -42.35 147.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.427 ' N ' ' HG3' ' A' ' 13' ' ' GLU . 26.6 mt -53.0 140.22 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.468 ' CG ' HG13 ' A' ' 40' ' ' VAL . 2.9 ptt? -125.11 139.36 53.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -100.48 104.49 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -100.82 125.6 47.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -105.18 97.48 13.59 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 86.37 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -95.69 131.06 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.7 p -123.43 123.27 40.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.74 142.36 51.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 t70 69.31 47.91 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 35.0 m -115.73 105.8 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -59.89 133.11 55.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.415 HG23 ' CD2' ' A' ' 80' ' ' LEU . 71.9 p -83.57 -175.41 5.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.212 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.49 -53.17 4.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.89 -43.6 71.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.45 28.94 0.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.9 t -99.09 131.05 47.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.779 0.323 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.37 111.48 20.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.83 165.93 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -128.35 107.98 10.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.467 HG22 ' CG2' ' A' ' 122' ' ' VAL . 99.2 t -119.43 119.58 61.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.1 m -68.21 -54.99 13.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.06 142.68 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.544 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 53.3 t -140.75 126.5 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.89 146.98 33.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.428 ' CG ' HD22 ' A' ' 115' ' ' LEU . 15.5 tp60 -103.43 132.7 49.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.468 HG13 ' CG ' ' A' ' 15' ' ' MET . 8.4 p -135.53 155.12 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' HG2' ' CD1' ' A' ' 115' ' ' LEU . 7.1 pttm -144.17 150.89 38.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.465 HD12 ' CD1' ' A' ' 112' ' ' ILE . 49.8 mm -75.15 103.58 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.1 mtm -42.53 152.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.63 156.09 16.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -65.81 107.37 1.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -114.88 -33.0 5.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -167.95 112.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.5 mt 51.94 53.05 13.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.402 ' CD1' ' O ' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -62.63 -16.25 55.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.13 -25.85 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.04 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 p -51.92 -41.87 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.188 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.424 ' HB2' ' CE2' ' A' ' 56' ' ' PHE . . . -108.24 -29.86 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.7 t -42.67 -68.98 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.27 -32.4 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -58.73 -24.72 62.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 52' ' ' ALA . 23.6 m-85 -105.77 -47.75 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.817 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' PHE . 20.3 mt -36.11 154.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.43 -41.35 2.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.532 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' HE3' ' CG ' ' A' ' 63' ' ' ASP . 4.9 mtpp -88.1 165.31 15.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -99.86 177.74 5.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 m -53.36 -34.82 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.44 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 40.1 mt-30 -54.22 -43.69 71.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.421 ' CG ' ' HE3' ' A' ' 59' ' ' LYS . 3.0 m-20 -62.94 -51.14 68.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.8 mp -60.07 -59.54 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -43.31 -37.86 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 62' ' ' GLN . 73.0 m-20 -77.49 -63.32 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 66' ' ' ASN . 84.0 t -36.88 -43.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -75.89 -62.06 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -42.54 -33.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -67.69 -42.73 81.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.477 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 18.0 m -54.12 -54.85 33.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.2 mt -68.49 -48.43 64.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.55 -58.76 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.92 -52.87 15.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 71' ' ' THR . 63.9 m-70 -52.34 -42.13 63.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.808 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.8 tp -51.7 -54.91 23.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -55.28 -42.68 73.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.2 t -61.86 -59.05 5.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.7 mm -60.28 -29.24 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.415 ' CD2' HG23 ' A' ' 26' ' ' THR . 5.4 tt -75.99 -28.64 57.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.53 -55.26 18.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 t -67.05 -12.08 58.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.795 0.331 . . . . 0.0 111.086 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.4 tp -103.15 133.62 47.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.2 p -74.59 148.94 40.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.071 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.0 p -48.12 -37.77 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.02 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -38.58 -53.16 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 53.3 mt -40.02 -44.41 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.439 ' CE1' HG11 ' A' ' 122' ' ' VAL . 57.7 m-85 -73.44 -49.09 28.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' TYR . 12.7 mm100 -35.1 -64.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.43 88.69 2.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -62.33 -56.8 14.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -45.78 -42.07 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 36.0 tp60 -61.4 -49.04 78.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -50.52 -62.21 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.76 -44.47 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -49.73 -38.67 34.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 24.2 mt -69.88 -43.97 70.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.486 HG11 ' CE2' ' A' ' 117' ' ' PHE . 61.6 t -61.4 -40.22 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 4.3 ptp180 -76.57 -35.26 58.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.469 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 41.5 mt-10 -68.43 -42.18 79.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.7 p -76.23 -25.72 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.94 -33.18 19.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.536 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -45.31 -56.53 9.22 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.546 0.689 . . . . 0.0 111.08 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.9 Cg_endo -69.77 -19.63 35.82 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.69 -60.99 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.464 ' CB ' ' HE1' ' A' ' 110' ' ' MET . 4.6 m -47.28 -38.74 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.36 -29.09 6.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -59.95 -46.18 90.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.464 ' HE1' ' CB ' ' A' ' 107' ' ' VAL . 7.6 ptt? -77.9 -33.62 51.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.17 37.69 1.0 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.465 ' CD1' HD12 ' A' ' 42' ' ' ILE . 7.0 mm -122.72 145.14 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -116.52 130.44 56.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.432 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.3 pp -84.47 140.33 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.483 HD11 ' N ' ' A' ' 115' ' ' LEU . 7.1 mp -95.1 -51.9 4.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 t -163.96 152.35 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.486 ' CE2' HG11 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -130.39 106.27 8.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.6 m -120.15 169.24 10.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 43.1 mm -103.76 139.08 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.455 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 1.6 tppt? -94.89 -72.38 0.62 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -148.23 143.9 27.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.467 ' CG2' HG22 ' A' ' 34' ' ' VAL . 2.3 p -131.57 115.78 29.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -131.76 174.49 10.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -124.9 134.72 52.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -54.99 -51.87 64.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.96 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.2 m -70.92 -0.18 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 39.24 42.86 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.14 -47.29 52.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.7 pp -82.5 -39.49 22.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.2 m -64.47 -45.96 85.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -107.26 57.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.37 -32.32 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -139.45 -87.76 0.16 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -39.22 129.88 1.68 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.788 0.328 . . . . 0.0 110.824 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 4.1 t -164.09 142.44 7.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -92.05 111.95 23.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 40.3 m -94.85 -61.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.1 t -125.76 117.56 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -160.72 63.71 0.28 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 102.29 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.733 2.289 . . . . 0.0 112.313 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.5 t -42.16 119.76 1.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 89.7 p -166.0 147.08 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.486 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -57.25 144.22 36.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -81.09 -52.0 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.23 38.56 1.22 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 m -63.75 104.65 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.902 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -125.61 127.54 46.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.15 54.87 0.8 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 50.21 45.57 25.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -161.21 125.76 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 tp -56.5 142.15 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -120.99 127.57 51.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.05 91.39 0.89 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -126.04 153.34 44.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.2 mt -103.43 132.44 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.98 138.38 54.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 m -96.19 116.6 29.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 69' ' ' LEU . 7.3 mp -113.21 126.33 55.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.419 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 6.1 mp0 -103.46 97.44 10.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 91.72 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -106.15 157.85 17.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 m -141.7 140.4 33.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -129.33 145.38 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 57.74 44.57 20.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.82 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.5 m -108.17 75.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -39.56 124.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.3 p -67.94 -175.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.85 -54.73 17.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -70.04 -16.09 63.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.67 47.1 1.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG12 ' CD2' ' A' ' 32' ' ' LEU . 57.9 t -120.58 104.0 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.88 0.372 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.423 ' C ' HD23 ' A' ' 32' ' ' LEU . . . -60.33 110.38 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 32' ' ' LEU . 3.9 mm? -113.13 151.23 31.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.41 HG23 ' CE2' ' A' ' 123' ' ' TYR . 6.8 m -108.97 104.62 13.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -110.88 119.14 58.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.0 m -70.54 -58.85 3.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.39 143.02 0.21 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.438 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 65.0 t -146.75 121.87 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.6 141.78 30.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -94.82 147.28 23.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.433 ' HA ' ' CD2' ' A' ' 115' ' ' LEU . 8.7 p -148.16 161.06 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' N ' HG23 ' A' ' 40' ' ' VAL . 18.3 pttt -154.18 159.49 41.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.465 HD11 ' CD1' ' A' ' 112' ' ' ILE . 32.7 mm -78.85 121.38 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.5 mtt -47.07 172.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.41 163.81 12.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -109.06 115.31 29.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.9 mmtm -97.32 -49.41 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -125.08 -43.66 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -160.92 133.42 6.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -122.73 19.78 10.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.51 -32.79 5.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.33 -52.0 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.453 ' HA ' ' NE2' ' A' ' 55' ' ' GLN . . . -104.47 18.34 22.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.5 t -89.28 -65.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -73.12 -24.12 60.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.594 ' OE1' ' CZ ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -61.31 -18.53 58.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.594 ' CZ ' ' OE1' ' A' ' 55' ' ' GLN . 23.1 m-85 -116.94 -50.31 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.4 mt -39.85 -33.22 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.76 -43.38 91.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.06 -175.76 2.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -94.27 156.45 16.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.4 m -37.29 -50.16 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' ASP . 16.3 mt-30 -43.04 -66.05 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 64' ' ' ILE . 7.6 t70 -36.14 -63.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.512 HG13 ' CD1' ' A' ' 56' ' ' PHE . 3.6 mp -36.33 -64.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -38.2 -49.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -62.12 -36.43 81.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 64' ' ' ILE . 84.6 t -65.4 -64.76 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.8 t -50.7 -29.07 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.435 ' N ' HD22 ' A' ' 17' ' ' LEU . 36.7 tp -72.77 -41.57 64.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -58.97 -32.74 69.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.457 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 89.2 m -65.33 -61.06 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.2 -38.76 90.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -59.16 -53.79 54.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.67 -43.0 53.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.46 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.457 ' CD2' ' O ' ' A' ' 71' ' ' THR . 89.8 m-70 -62.61 -36.91 84.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 tp -59.16 -44.03 92.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -69.39 -40.24 77.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -64.89 -50.64 65.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.782 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 43.1 mm -65.04 -36.94 78.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.39 -44.44 68.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.91 -46.63 32.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.451 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 t -77.5 -11.66 59.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.861 0.362 . . . . 0.0 111.191 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 tp -98.82 129.98 45.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.6 p -73.13 140.28 46.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 p -38.25 -46.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.02 -57.21 14.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -44.94 -45.73 10.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 49.2 mt -52.71 -36.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 90' ' ' GLN . 44.0 m-85 -76.34 -46.98 25.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 89' ' ' TYR . 36.0 mm-40 -33.85 -60.51 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.82 118.38 7.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -81.04 -51.04 8.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -47.08 -32.03 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.476 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 8.3 tm0? -80.74 -32.97 35.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -68.48 -55.86 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.29 -20.06 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -71.62 -59.1 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 94' ' ' GLN . 5.5 mp -50.24 -18.47 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.85 -29.07 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.469 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 5.0 ptm180 -85.52 -39.8 17.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -69.02 -30.56 68.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 103' ' ' ALA . 6.7 p -76.03 -35.49 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -84.16 -35.04 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.537 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -36.69 -56.81 1.3 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.616 0.722 . . . . 0.0 111.157 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 104' ' ' ALA . 53.1 Cg_endo -69.77 -21.52 33.34 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.5 m-20 -77.68 -59.23 2.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.46 HG11 ' CE ' ' A' ' 110' ' ' MET . 20.7 m -51.63 -31.32 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.59 -18.36 23.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -72.79 -53.52 11.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.46 ' CE ' HG11 ' A' ' 107' ' ' VAL . 3.7 ptt? -68.26 -33.69 74.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 118.44 28.67 2.09 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 42' ' ' ILE . 41.5 mm -114.3 141.09 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.753 0.311 . . . . 0.0 111.159 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.402 ' N ' HG23 ' A' ' 112' ' ' ILE . 22.1 tt0 -114.33 133.42 55.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.405 HD13 ' C ' ' A' ' 114' ' ' ILE . 2.3 pp -91.38 130.88 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 40' ' ' VAL . 2.4 mm? -83.91 -55.62 4.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.2 m -156.27 169.54 24.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.469 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -145.79 117.0 7.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.403 ' CG2' ' H ' ' A' ' 119' ' ' ILE . 2.0 m -134.64 174.34 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.403 ' H ' ' CG2' ' A' ' 118' ' ' THR . 33.4 mm -113.38 135.53 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.438 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 40.6 tttm -91.08 -74.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -133.85 150.16 51.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.4 t -142.35 107.78 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.41 ' CE2' HG23 ' A' ' 33' ' ' THR . 8.0 p90 -127.69 156.34 42.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' A' ' 124' ' ' ASP . 0.1 OUTLIER -88.89 111.81 22.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -57.13 -38.3 73.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.6 m -87.99 12.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 45.18 43.06 7.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' A' ' 128' ' ' TYR . 2.6 t80 -68.54 -63.39 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.413 HD13 ' CD1' ' A' ' 132' ' ' LEU . 0.3 OUTLIER -59.39 -47.92 83.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.0 p -51.89 -28.31 15.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -85.64 32.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.413 ' CD1' HD13 ' A' ' 129' ' ' LEU . 55.9 mt -105.93 -31.96 8.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -137.96 -70.18 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -52.27 157.42 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 15.0 t -110.05 -8.78 14.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.086 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -146.51 123.16 11.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.966 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 6.4 t -82.37 -25.85 33.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.7 m -57.21 156.53 7.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -97.99 146.86 18.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 141' ' ' SER . 53.3 Cg_endo -69.79 -19.49 35.9 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 140' ' ' PRO . 38.6 m -35.38 137.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.815 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 141' ' ' SER . 98.4 p 35.25 42.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.454 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 40' ' ' VAL . 52.6 mt . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.833 0.349 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.7 mtm -100.92 134.53 43.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.9 m -100.9 103.51 14.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 69' ' ' LEU . 20.8 mt -109.77 128.68 55.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.412 ' CG ' HG22 ' A' ' 37' ' ' VAL . 3.0 mp0 -106.41 97.54 16.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.662 0.744 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.8 Cg_endo -69.68 91.57 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.403 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -111.17 149.58 30.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 t -141.32 145.81 35.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -130.03 142.39 50.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 70.38 51.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.785 HG21 HD13 ' A' ' 80' ' ' LEU . 31.6 m -116.75 88.8 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -52.24 122.41 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.589 HG21 ' CG2' ' A' ' 85' ' ' VAL . 79.1 p -64.15 -175.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.74 -55.02 12.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.501 ' HG3' HG23 ' A' ' 30' ' ' VAL . 17.5 pt-20 -59.41 -52.39 65.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.94 42.44 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' HG3' ' A' ' 28' ' ' GLU . 48.3 t -122.55 116.47 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.122 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.7 117.81 10.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.064 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.9 mm? -116.37 164.21 14.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 m -120.04 109.6 15.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.232 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.969 HG22 HG22 ' A' ' 122' ' ' VAL . 78.8 t -114.67 123.47 70.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.535 HG21 ' HD3' ' A' ' 120' ' ' LYS . 23.2 m -75.98 -53.75 7.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.162 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.05 148.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.457 HG23 ' HB2' ' A' ' 120' ' ' LYS . 17.8 t -151.33 121.83 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.78 156.3 45.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -114.59 140.77 48.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.429 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 5.2 p -135.32 163.1 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.638 ' HG2' HD21 ' A' ' 115' ' ' LEU . 22.1 pttt -154.28 153.54 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.445 HD13 ' CD1' ' A' ' 112' ' ' ILE . 5.5 mm -69.43 148.38 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.7 mtm . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.771 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.871 0.367 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -109.74 -32.83 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.1 m -63.18 -57.82 9.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.13 -23.97 67.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -79.96 -16.51 55.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.843 0.354 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -53.94 -52.65 59.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 64' ' ' ILE . 3.6 mp -52.44 -63.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -46.4 -36.75 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -65.03 -58.29 6.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.0 t -47.11 -55.93 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.418 HG11 HG11 ' A' ' 40' ' ' VAL . 61.3 t -60.24 -49.31 84.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.487 ' N ' HD13 ' A' ' 17' ' ' LEU . 16.7 tp -54.07 -40.17 66.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -57.08 -55.69 31.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.3 m -42.37 -57.08 2.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.487 HD23 ' CB ' ' A' ' 103' ' ' ALA . 91.3 mt -64.2 -52.11 60.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.12 -67.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.09 -56.16 2.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -47.78 -51.23 23.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.783 HD12 HG21 ' A' ' 99' ' ' VAL . 5.7 tp -42.07 -54.76 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.46 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 37.4 ttp180 -53.95 -51.85 62.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -53.46 -47.95 69.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.2 mm -69.43 -27.12 33.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.785 HD13 HG21 ' A' ' 24' ' ' VAL . 5.1 tt -77.9 -31.16 51.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.44 -46.36 70.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -71.63 -20.31 61.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.358 . . . . 0.0 111.122 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.6 mt -98.93 129.82 45.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.939 HG23 ' H ' ' A' ' 86' ' ' GLU . 6.5 t -70.4 -177.29 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.589 ' CG2' HG21 ' A' ' 26' ' ' THR . 9.5 t -77.33 -15.49 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.939 ' H ' HG23 ' A' ' 84' ' ' THR . 2.0 mp0 -87.19 -66.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -39.62 -40.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.99 -73.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -48.98 -48.56 43.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -42.43 -61.91 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.89 81.82 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 62.2 mtm180 -66.82 -45.05 79.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -45.85 -39.39 8.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -71.49 -54.4 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -39.52 -51.74 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.06 95.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -56.22 -35.26 67.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.3 mt -71.03 -49.21 47.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.783 HG21 HD12 ' A' ' 76' ' ' LEU . 21.5 t -54.6 -36.87 37.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 5.3 ptm180 -83.72 -34.11 24.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.805 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -69.88 -29.6 66.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.6 p -87.92 -29.79 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.487 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -86.6 -30.62 21.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.791 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -47.57 -60.37 4.24 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.577 0.703 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.791 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.9 Cg_endo -69.67 -0.32 6.67 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.404 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.81 -53.62 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 112' ' ' ILE . 16.2 m -54.91 -24.47 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.97 -15.6 36.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.435 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -76.75 -37.18 56.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.819 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.42 ' CE ' HG12 ' A' ' 107' ' ' VAL . 0.4 OUTLIER -85.48 -29.84 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.59 32.11 2.19 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.495 ' O ' HG23 ' A' ' 107' ' ' VAL . 39.3 mm -127.58 138.75 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 0.0 111.137 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -116.29 141.43 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.974 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.425 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.4 pp -88.74 143.43 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.638 HD21 ' HG2' ' A' ' 41' ' ' LYS . 2.2 mm? -94.88 -54.12 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.6 t -155.96 162.31 40.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.789 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 100' ' ' ARG . 0.6 OUTLIER -140.8 126.16 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.689 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.1 m -138.94 173.64 11.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.689 ' H ' HG22 ' A' ' 118' ' ' THR . 9.8 mm -113.75 126.32 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.535 ' HD3' HG21 ' A' ' 35' ' ' THR . 35.0 tttm -79.81 -72.25 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -149.14 139.16 22.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.969 HG22 HG22 ' A' ' 34' ' ' VAL . 21.0 t -125.72 101.97 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -118.5 167.55 11.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.492 ' HB3' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 40' ' ' VAL . 80.0 mt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.712 0.291 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 71.9 mtm -111.95 138.32 48.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.7 m -106.05 104.45 14.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 mt -113.42 128.36 56.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.474 HE22 HG13 ' A' ' 37' ' ' VAL . 3.3 mm-40 -102.0 100.5 15.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.708 . . . . 0.0 110.922 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 54.1 Cg_endo -69.71 80.53 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.381 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.9 ttp85 -95.17 141.59 28.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.403 ' HB2' HD23 ' A' ' 76' ' ' LEU . 52.8 m -142.59 119.06 10.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.68 ' HB3' HG23 ' A' ' 33' ' ' THR . 19.8 pt-20 -115.49 157.37 24.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.526 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 6.2 t0 65.32 47.27 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 24' ' ' VAL . 24.6 m -114.71 102.7 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.27 118.58 6.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.688 HG21 HG23 ' A' ' 85' ' ' VAL . 17.4 p -65.93 -175.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.452 ' HB3' HG22 ' A' ' 84' ' ' THR . . . -51.63 -50.06 61.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.482 ' HG2' HG23 ' A' ' 30' ' ' VAL . 10.6 pm0 -68.69 -26.24 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.86 51.79 0.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.482 HG23 ' HG2' ' A' ' 28' ' ' GLU . 17.0 t -130.65 115.49 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 111.15 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 23' ' ' ASP . . . -66.13 119.74 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' O ' HG22 ' A' ' 24' ' ' VAL . 4.1 mm? -122.11 165.74 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.68 HG23 ' HB3' ' A' ' 22' ' ' GLU . 2.0 m -124.54 121.49 34.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.735 HG13 HG12 ' A' ' 122' ' ' VAL . 75.6 t -126.03 108.13 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.547 HG21 ' HD3' ' A' ' 120' ' ' LYS . 42.0 m -55.61 -58.46 7.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.97 147.63 0.33 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.474 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.474 HG13 HE22 ' A' ' 18' ' ' GLN . 54.4 t -152.11 114.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 111.129 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.74 129.44 32.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.463 ' HG2' HD12 ' A' ' 115' ' ' LEU . 12.3 tt0 -84.36 131.29 34.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 41' ' ' LYS . 8.6 p -128.28 162.5 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.513 ' N ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -155.39 152.43 29.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.65 HD13 ' CD1' ' A' ' 112' ' ' ILE . 7.7 mm -73.92 129.43 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.861 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.818 0.342 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 110' ' ' MET . . . -107.49 -39.8 5.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -38.51 -67.42 0.21 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -65.42 -22.18 66.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -36.34 83.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.526 ' CE1' HG23 ' A' ' 64' ' ' ILE . 26.6 m-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.829 0.347 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.26 -51.45 68.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.641 ' H ' HD12 ' A' ' 64' ' ' ILE . 5.2 mp -54.45 -64.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -41.25 -38.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -70.34 -55.97 7.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.0 t -46.65 -58.18 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.5 t -55.99 -51.85 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 tp -50.8 -40.32 55.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.07 -50.47 73.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 83.6 m -46.17 -46.51 17.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -76.48 -35.09 58.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' GLY . 33.3 mt-10 -64.4 -69.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -37.78 -52.46 1.97 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 78' ' ' SER . 30.6 m-70 -56.91 -52.09 66.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.672 HD12 HG21 ' A' ' 99' ' ' VAL . 3.4 tp -36.6 -50.57 0.81 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.569 ' HG2' HG11 ' A' ' 24' ' ' VAL . 10.3 mtp-105 -60.19 -43.66 95.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' HIS . 12.7 t -59.64 -50.83 72.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.515 HG21 ' HB2' ' A' ' 98' ' ' LEU . 17.3 mm -67.83 -24.89 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.602 HD13 HG21 ' A' ' 24' ' ' VAL . 6.2 tt -78.24 -35.48 48.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.03 -51.06 60.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -69.02 -19.17 64.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 111.096 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.712 HD22 ' CD1' ' A' ' 95' ' ' PHE . 8.8 tp -89.56 161.96 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.452 HG22 ' HB3' ' A' ' 27' ' ' ALA . 71.4 p -114.09 141.04 47.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.688 HG23 HG21 ' A' ' 26' ' ' THR . 36.7 t -36.79 -63.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 85' ' ' VAL . 20.6 mt-10 -37.12 -51.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -58.82 -58.22 9.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.668 HG12 HD23 ' A' ' 83' ' ' LEU . 80.1 mt -42.71 -43.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.487 ' CZ ' HG23 ' A' ' 122' ' ' VAL . 21.6 m-85 -74.05 -61.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' TYR . 4.8 mt-30 -33.99 -62.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.09 99.88 4.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -77.53 -35.97 52.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -53.28 -49.53 66.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -59.76 -40.2 87.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.712 ' CD1' HD22 ' A' ' 83' ' ' LEU . 21.9 t80 -53.82 -61.5 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.524 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -47.85 -47.01 31.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 14.6 ttmt -44.97 -35.24 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.515 ' HB2' HG21 ' A' ' 79' ' ' ILE . 30.8 mt -76.37 -38.56 55.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.672 HG21 HD12 ' A' ' 76' ' ' LEU . 46.7 t -67.54 -42.03 86.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.479 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 28.5 ptt180 -76.79 -30.01 56.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 97' ' ' LYS . 3.9 mm-40 -70.14 -32.41 70.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 p -83.19 -31.17 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -81.9 -41.09 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.764 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.95 -60.09 0.49 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.764 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.8 Cg_endo -69.78 -22.31 32.16 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 103' ' ' ALA . 3.9 t70 -75.46 -60.96 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.599 HG12 ' CE ' ' A' ' 110' ' ' MET . 6.6 m -48.84 -36.22 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.18 -24.76 1.6 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -63.47 -56.34 16.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.79 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.706 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 4.1 ptt? -67.51 -33.06 74.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.477 ' HA3' ' HB2' ' A' ' 52' ' ' ALA . . . 115.83 34.24 1.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.414 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.65 ' CD1' HD13 ' A' ' 42' ' ' ILE . 43.8 mm -118.78 146.91 22.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.82 0.343 . . . . 0.0 111.117 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -122.16 133.7 54.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 114' ' ' ILE . 2.5 pp -83.92 134.93 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.463 HD12 ' HG2' ' A' ' 39' ' ' GLN . 62.5 mt -94.61 -52.45 4.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.9 p -153.93 147.52 25.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.787 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.524 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -134.07 112.56 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.673 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.4 m -131.12 173.7 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.673 ' H ' HG22 ' A' ' 118' ' ' THR . 26.1 mm -110.48 127.35 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.547 ' HD3' HG21 ' A' ' 35' ' ' THR . 25.4 tttp -78.07 -59.3 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -170.19 141.78 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.735 HG12 HG13 ' A' ' 34' ' ' VAL . 11.2 m -118.19 128.06 75.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -137.05 172.77 12.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.566 ' HG3' HG13 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -130.73 135.72 48.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.474 ' C ' HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -91.81 113.15 25.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 16' ' ' THR . 11.0 mp -121.86 125.26 46.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.511 ' HG2' HG22 ' A' ' 37' ' ' VAL . 18.4 mp0 -106.87 96.91 15.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 54.0 Cg_endo -69.75 101.61 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.346 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 35' ' ' THR . 50.7 mtt180 -101.58 163.73 12.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -144.24 120.71 11.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.82 154.02 45.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.4 25.73 14.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 24' ' ' VAL . 20.2 m -100.24 103.39 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -64.74 123.62 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.606 HG21 ' CG2' ' A' ' 85' ' ' VAL . 20.8 p -63.51 -178.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.71 ' HB3' HG22 ' A' ' 84' ' ' THR . . . -48.21 -55.16 11.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 11.4 pt-20 -61.12 -50.93 71.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 139.57 54.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.439 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.58 HG12 ' CD2' ' A' ' 32' ' ' LEU . 93.3 t -135.59 117.23 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 111.132 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.04 116.13 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.58 ' CD2' HG12 ' A' ' 30' ' ' VAL . 3.9 mm? -115.62 154.87 28.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.759 HG21 ' CZ ' ' A' ' 123' ' ' TYR . 17.5 m -114.53 118.27 33.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.3 t -126.81 112.08 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 32.6 m -64.59 -63.95 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.25 152.15 1.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.733 HG23 ' HB2' ' A' ' 120' ' ' LYS . 16.0 t -145.43 129.86 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 111.095 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.36 154.49 42.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -109.76 122.48 47.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.566 HG13 ' HG3' ' A' ' 15' ' ' MET . 7.8 p -123.83 158.02 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' N ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -159.37 154.06 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.786 HD13 ' CD1' ' A' ' 112' ' ' ILE . 17.7 mm -66.44 134.59 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.471 ' CG ' ' HB2' ' A' ' 113' ' ' GLU . 9.4 mtt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.552 HG13 ' N ' ' A' ' 52' ' ' ALA . 11.5 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.792 0.329 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.855 ' HB2' ' HA3' ' A' ' 111' ' ' GLY . . . -94.64 -20.57 19.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.8 m -63.57 -63.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -69.22 -22.57 63.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -70.05 -31.44 69.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.811 0.339 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.955 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.4 m-20 -61.39 -37.99 85.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.2 mp -63.3 -64.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -38.44 -49.27 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -60.52 -57.1 14.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 63' ' ' ASP . 45.9 t -46.64 -58.89 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.17 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.542 HG13 ' HE3' ' A' ' 110' ' ' MET . 45.4 t -55.05 -47.15 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.3 tp -58.23 -37.95 75.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -60.67 -45.06 95.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.546 HG21 HG13 ' A' ' 107' ' ' VAL . 75.5 m -55.27 -57.57 11.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.35 -43.0 98.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 76' ' ' LEU . 12.7 mt-10 -62.39 -69.85 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.83 -48.43 0.71 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 71' ' ' THR . 43.0 m-70 -61.33 -44.41 97.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.967 HD12 HG21 ' A' ' 99' ' ' VAL . 13.9 tp -52.73 -38.8 61.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -67.19 -45.6 76.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 t -63.83 -48.8 75.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.5 mm -59.23 -37.55 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.69 ' HG ' HD11 ' A' ' 88' ' ' ILE . 7.7 tt -72.77 -32.04 65.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -61.23 -48.74 84.01 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 t -72.96 -16.05 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.766 0.317 . . . . 0.0 111.133 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.68 HD22 ' HB3' ' A' ' 87' ' ' GLN . 12.3 mt -102.03 139.53 37.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.71 HG22 ' HB3' ' A' ' 27' ' ' ALA . 57.5 p -84.88 154.17 22.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.606 ' CG2' HG21 ' A' ' 26' ' ' THR . 17.0 t -40.53 -56.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -51.64 -58.12 7.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.68 ' HB3' HD22 ' A' ' 83' ' ' LEU . 16.0 mt-30 -43.29 -39.34 3.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.69 HD11 ' HG ' ' A' ' 80' ' ' LEU . 54.8 mt -65.95 -67.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.484 ' HE1' HG13 ' A' ' 122' ' ' VAL . 36.6 m-85 -49.09 -53.08 22.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' TYR . 7.9 mm-40 -37.61 -63.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -126.06 105.95 9.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.618 ' HD3' HG21 ' A' ' 119' ' ' ILE . 48.2 mtt180 -76.82 -43.81 35.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -53.79 -46.98 71.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -58.02 -66.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.511 ' O ' HG23 ' A' ' 99' ' ' VAL . 19.5 t80 -41.0 -52.41 3.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.511 ' HB1' ' HD1' ' A' ' 117' ' ' PHE . . . -55.87 -44.15 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -57.56 -47.17 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.79 -13.71 4.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.967 HG21 HD12 ' A' ' 76' ' ' LEU . 21.2 t -95.11 -37.7 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.482 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 13.2 ptt180 -76.9 -39.27 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.89 -33.72 74.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.0 p -78.4 -29.29 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.35 -32.7 19.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.744 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -42.51 -59.19 3.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.744 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.1 Cg_endo -69.72 -8.82 24.58 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.727 2.285 . . . . 0.0 112.345 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.22 -61.29 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.628 HG12 ' CE ' ' A' ' 110' ' ' MET . 11.3 m -47.51 -37.63 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -45.14 -28.38 1.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.532 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -61.51 -57.2 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.628 ' CE ' HG12 ' A' ' 107' ' ' VAL . 5.2 ptt? -65.02 -33.05 75.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.855 ' HA3' ' HB2' ' A' ' 52' ' ' ALA . . . 116.09 29.62 2.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.786 ' CD1' HD13 ' A' ' 42' ' ' ILE . 29.3 mm -116.98 138.59 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 111.118 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.471 ' HB2' ' CG ' ' A' ' 43' ' ' MET . 3.5 tp10 -113.96 128.95 56.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.427 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.3 pp -80.49 145.99 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 77.5 mt -102.15 -52.37 3.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.8 p -156.6 161.73 39.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.511 ' HD1' ' HB1' ' A' ' 96' ' ' ALA . 2.7 t80 -143.61 126.53 16.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.643 HG22 ' H ' ' A' ' 119' ' ' ILE . 4.7 m -146.29 171.1 15.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.643 ' H ' HG22 ' A' ' 118' ' ' THR . 46.6 mm -98.33 140.45 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.733 ' HB2' HG23 ' A' ' 37' ' ' VAL . 21.9 tptp -99.87 -69.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.89 143.73 26.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.484 HG13 ' HE1' ' A' ' 89' ' ' TYR . 2.9 p -134.14 129.17 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.759 ' CZ ' HG21 ' A' ' 33' ' ' THR . 2.5 p90 -136.86 170.94 15.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 40' ' ' VAL . 31.1 mt . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.814 0.34 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.712 ' O ' HG12 ' A' ' 40' ' ' VAL . 45.4 mtm -101.96 121.2 41.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.8 m -85.29 102.6 13.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.482 ' CD1' HG11 ' A' ' 40' ' ' VAL . 37.9 mt -109.97 126.96 54.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' HG2' HG22 ' A' ' 37' ' ' VAL . 37.3 mt-30 -101.99 97.68 8.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.691 0.758 . . . . 0.0 110.939 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 79.98 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.693 2.262 . . . . 0.0 112.321 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -95.37 141.24 29.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.455 ' HB3' HD23 ' A' ' 76' ' ' LEU . 13.8 p -129.52 124.12 33.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -124.17 143.45 50.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.408 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 7.7 m-20 66.43 49.77 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.834 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 24' ' ' VAL . 35.6 m -119.22 88.71 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -53.76 126.46 22.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 30' ' ' VAL . 18.0 p -72.32 -175.08 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.83 -55.19 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.498 ' HG3' HG23 ' A' ' 30' ' ' VAL . 7.8 pt-20 -63.32 -40.43 97.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.46 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 124.38 46.51 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.732 HG12 ' CD2' ' A' ' 32' ' ' LEU . 86.1 t -122.04 100.26 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB1' ' HA ' ' A' ' 23' ' ' ASP . . . -57.3 115.93 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.732 ' CD2' HG12 ' A' ' 30' ' ' VAL . 4.1 mm? -116.23 161.16 19.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.91 108.44 13.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.647 HG13 HG12 ' A' ' 122' ' ' VAL . 94.1 t -112.35 113.51 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.9 m -61.04 -55.77 28.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.74 145.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 120' ' ' LYS . 24.6 t -148.39 122.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 111.167 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.51 138.8 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.425 ' CG ' HG21 ' A' ' 14' ' ' ILE . 10.8 tt0 -93.42 136.97 33.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.712 HG12 ' O ' ' A' ' 15' ' ' MET . 8.4 p -133.91 161.22 41.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.621 ' HG2' HD21 ' A' ' 115' ' ' LEU . 35.3 pttt -151.35 152.35 33.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.626 HD13 ' CD1' ' A' ' 112' ' ' ILE . 37.5 mm -78.35 121.84 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.2 mtt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 179.88 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 52' ' ' ALA . 6.7 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.735 ' HB2' ' HA3' ' A' ' 111' ' ' GLY . . . -100.79 -38.24 8.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.8 m -57.28 -57.17 13.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.09 -31.44 72.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.08 -42.09 93.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.912 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.807 0.337 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 64' ' ' ILE . 1.0 OUTLIER -45.89 -61.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 64' ' ' ILE . 5.2 mp -35.59 -67.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 64' ' ' ILE . 36.4 mttt -34.96 -49.46 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -68.32 -55.09 13.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.4 t -44.09 -61.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.435 HG22 HG13 ' A' ' 112' ' ' ILE . 43.2 t -50.89 -50.37 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 tp -56.14 -40.22 73.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -59.26 -37.45 77.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 94.3 m -58.44 -57.07 14.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.1 mt -65.05 -48.05 75.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -49.88 -64.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.34 -59.21 2.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -48.26 -45.76 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.86 0.362 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.994 HD12 HG21 ' A' ' 99' ' ' VAL . 10.2 tp -51.67 -37.98 52.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.407 ' HG2' HG11 ' A' ' 24' ' ' VAL . 30.6 mtt180 -68.52 -36.97 79.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 t -69.29 -55.0 11.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.565 ' O ' HG22 ' A' ' 82' ' ' THR . 22.6 mm -56.71 -47.02 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.19 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.409 ' CD2' HG22 ' A' ' 26' ' ' THR . 4.2 tt -58.32 -44.73 88.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.967 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.75 -55.61 11.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 79' ' ' ILE . 10.0 t -63.24 -24.62 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.328 . . . . 0.0 111.166 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -91.35 124.24 35.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.1 p -65.35 153.89 39.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.656 ' HA ' HD12 ' A' ' 88' ' ' ILE . 6.2 p -52.56 -43.77 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.424 ' N ' HG13 ' A' ' 85' ' ' VAL . 21.0 mp0 -56.71 -59.83 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -44.4 -56.05 4.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 85' ' ' VAL . 48.0 mt -40.91 -58.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -57.93 -57.87 10.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -44.65 -61.84 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.32 90.5 3.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -88.64 -29.68 19.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.3 -44.86 68.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -69.07 -42.53 76.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -48.46 -40.92 27.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.1 -45.37 88.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -53.87 -43.34 69.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.59 -37.06 75.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.994 HG21 HD12 ' A' ' 76' ' ' LEU . 41.8 t -66.01 -61.93 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.472 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 4.9 ptm180 -58.61 -26.97 64.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -73.43 -39.73 64.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 99' ' ' VAL . 10.3 p -80.57 -23.43 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -90.63 -39.17 12.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.804 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -37.89 -60.72 0.9 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.804 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.1 Cg_endo -69.74 -16.15 37.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.305 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 103' ' ' ALA . 12.3 t70 -80.29 -60.48 2.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.405 HG21 HG23 ' A' ' 114' ' ' ILE . 8.9 m -44.87 -37.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.61 -34.07 9.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.5 ptt85 -55.26 -43.65 74.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -83.8 -31.96 25.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.735 ' HA3' ' HB2' ' A' ' 52' ' ' ALA . . . 115.23 25.07 3.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.626 ' CD1' HD13 ' A' ' 42' ' ' ILE . 14.8 mm -107.46 132.28 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.068 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -107.27 132.38 53.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 114' ' ' ILE . 2.2 pp -92.09 137.2 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.621 HD21 ' HG2' ' A' ' 41' ' ' LYS . 2.8 mm? -87.27 -55.2 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 m -158.48 172.57 18.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.472 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -147.57 131.17 16.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.678 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.5 m -149.7 173.36 13.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.678 ' H ' HG22 ' A' ' 118' ' ' THR . 49.8 mm -107.69 134.09 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.458 ' HB2' HG23 ' A' ' 37' ' ' VAL . 25.0 tptt -90.89 -62.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -163.44 134.91 4.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.647 HG12 HG13 ' A' ' 34' ' ' VAL . 4.5 m -122.12 133.52 68.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -136.83 172.8 12.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.799 0.333 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -112.09 140.39 46.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.2 m -97.66 101.2 12.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.534 HD12 HG11 ' A' ' 40' ' ' VAL . 65.4 mt -110.96 117.43 33.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -104.9 97.53 13.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.933 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 53.5 Cg_endo -69.82 102.14 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -108.54 154.24 22.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.0 m -141.44 124.97 16.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.6 ' HG2' HG23 ' A' ' 33' ' ' THR . 61.0 mt-10 -119.96 158.27 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.5 p-10 46.61 52.04 11.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 24' ' ' VAL . 13.3 m -117.82 90.68 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.423 ' HA ' ' C ' ' A' ' 30' ' ' VAL . 47.1 mt-10 -53.51 126.46 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.681 HG23 HD23 ' A' ' 32' ' ' LEU . 41.2 p -71.37 -175.86 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -45.22 -57.15 4.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -62.57 -30.92 71.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.38 40.15 0.75 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.516 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.434 ' O ' HD23 ' A' ' 32' ' ' LEU . 88.9 t -116.07 115.6 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.7 121.36 13.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.681 HD23 HG23 ' A' ' 26' ' ' THR . 4.1 mm? -118.24 159.32 23.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.647 HG21 ' CE2' ' A' ' 123' ' ' TYR . 57.3 m -126.54 105.76 8.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.7 t -116.42 109.25 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 m -55.58 -52.95 62.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.42 137.19 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.6 t -145.62 121.69 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.58 155.05 45.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.059 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.782 ' HG2' HD12 ' A' ' 115' ' ' LEU . 10.9 tt0 -112.34 133.04 54.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.534 HG11 HD12 ' A' ' 17' ' ' LEU . 8.6 p -129.34 161.49 38.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.503 ' N ' HG22 ' A' ' 40' ' ' VAL . 23.4 pttt -153.88 143.05 21.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.511 HD11 HG21 ' A' ' 64' ' ' ILE . 3.4 mm -64.55 125.11 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.4 mtt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.897 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.829 0.347 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.608 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -108.03 -32.97 7.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.89 -25.6 67.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -80.8 -33.31 34.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.484 ' HG3' ' CD1' ' A' ' 56' ' ' PHE . 8.9 pt20 -81.18 -3.74 53.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.608 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 21.3 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.468 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 43.0 mt-30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.811 0.338 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.738 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.0 m-20 -69.25 -47.54 64.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.511 HG21 HD11 ' A' ' 42' ' ' ILE . 4.2 mp -60.79 -53.12 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -53.26 -38.09 62.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 62' ' ' GLN . 40.2 m-20 -71.46 -64.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 63' ' ' ASP . 58.5 t -39.36 -58.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.516 HG11 HG21 ' A' ' 40' ' ' VAL . 57.0 t -54.48 -47.52 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 tp -56.34 -45.79 80.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -50.55 -52.37 39.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 57.9 m -44.42 -60.22 2.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.8 mt -63.82 -58.62 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -37.4 -61.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.46 -50.4 30.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -54.98 -38.66 68.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.975 HD12 HG21 ' A' ' 99' ' ' VAL . 7.3 tp -59.46 -47.03 87.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.7 ttp-105 -60.1 -49.85 76.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 t -58.52 -56.2 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.0 mm -55.44 -29.38 23.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.552 HD23 HG22 ' A' ' 26' ' ' THR . 2.5 tt -75.48 -47.04 28.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -54.01 -56.24 21.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 83' ' ' LEU . 9.0 t -55.57 -40.43 71.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.419 ' N ' HG23 ' A' ' 82' ' ' THR . 13.5 mt -75.95 158.7 31.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' VAL . 18.7 p -97.68 138.74 34.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.652 HG13 ' OE1' ' A' ' 86' ' ' GLU . 2.5 p -37.67 -36.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.652 ' OE1' HG13 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -63.24 -49.24 74.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -61.59 -36.6 81.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.6 mt -62.68 -49.45 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.437 ' O ' ' C ' ' A' ' 90' ' ' GLN . 11.6 m-85 -69.52 -45.07 69.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 89' ' ' TYR . 23.7 mm-40 -35.12 -62.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.89 106.84 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -68.03 -43.02 79.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -50.53 -54.1 25.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -60.08 -46.85 88.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -48.29 -58.76 4.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.479 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -55.64 -41.04 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -48.33 -35.23 11.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.401 ' O ' HG12 ' A' ' 102' ' ' VAL . 7.4 mp -72.84 -33.89 66.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.975 HG21 HD12 ' A' ' 76' ' ' LEU . 45.3 t -69.76 -47.07 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.487 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 25.9 ptt180 -71.7 -21.69 61.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.426 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 17.3 mt-10 -79.35 -39.79 31.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.402 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 11.0 p -79.25 -20.55 12.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.46 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -93.02 -36.74 12.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.743 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -42.75 -58.44 3.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 52.5 Cg_endo -69.79 -12.38 32.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.271 . . . . 0.0 112.306 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 102' ' ' VAL . 1.1 m-20 -86.19 -62.01 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.599 HG12 ' CE ' ' A' ' 110' ' ' MET . 4.1 m -43.79 -41.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.78 -34.39 1.86 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.545 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -52.69 -53.76 43.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.599 ' CE ' HG12 ' A' ' 107' ' ' VAL . 5.8 ptt? -71.47 -37.01 71.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.95 34.07 1.01 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.474 ' CD1' HD13 ' A' ' 42' ' ' ILE . 47.9 mm -118.74 140.44 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 111.061 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -115.36 126.16 54.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.413 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.4 pp -78.15 142.72 13.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.782 HD12 ' HG2' ' A' ' 39' ' ' GLN . 46.8 mt -94.01 -48.64 6.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.4 t -167.44 163.95 14.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.487 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.8 OUTLIER -142.14 122.28 13.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.932 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.7 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.6 m -136.01 175.67 9.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.7 ' H ' HG22 ' A' ' 118' ' ' THR . 49.0 mm -118.55 122.75 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -74.33 -61.4 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -156.44 143.8 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 p -129.77 121.94 53.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.647 ' CE2' HG21 ' A' ' 33' ' ' THR . 3.2 p90 -137.07 165.08 26.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.5 mt . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.79 0.329 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.488 ' CG ' HG13 ' A' ' 40' ' ' VAL . 3.1 ptt? -99.36 129.87 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.2 m -93.66 112.95 24.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.408 ' CD1' HG11 ' A' ' 40' ' ' VAL . 13.7 mt -114.2 123.21 49.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.616 ' HG2' HG22 ' A' ' 37' ' ' VAL . 56.0 mt-30 -102.61 97.57 9.31 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.729 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' O ' HD22 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.72 87.21 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.617 2.211 . . . . 0.0 112.346 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -101.69 142.87 32.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.2 m -133.4 121.33 22.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.48 141.83 48.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t0 71.35 52.21 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 24' ' ' VAL . 17.1 m -124.09 94.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.431 ' HA ' ' C ' ' A' ' 30' ' ' VAL . 29.6 mt-10 -56.15 121.03 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.533 HG21 HG23 ' A' ' 85' ' ' VAL . 71.4 p -60.67 -176.55 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -47.02 -57.68 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.563 ' HG3' HG23 ' A' ' 30' ' ' VAL . 7.4 pt-20 -59.54 -53.69 55.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 143.32 51.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.596 ' O ' HD23 ' A' ' 32' ' ' LEU . 23.6 t -129.67 107.84 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 111.11 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.96 111.85 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 30' ' ' VAL . 4.0 mm? -111.06 165.72 11.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.81 115.64 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.779 HG22 HG22 ' A' ' 122' ' ' VAL . 75.4 t -123.92 125.17 70.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.5 m -75.32 -61.71 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.23 136.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.616 HG22 ' HG2' ' A' ' 18' ' ' GLN . 5.5 t -135.5 128.32 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 116' ' ' SER . . . -148.26 152.67 37.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.072 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -109.24 145.21 36.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.591 ' HA ' HD23 ' A' ' 115' ' ' LEU . 9.9 p -146.82 159.69 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.169 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.934 ' HG2' HD21 ' A' ' 115' ' ' LEU . 12.7 pttt -156.95 151.15 25.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.472 HG13 ' CD1' ' A' ' 112' ' ' ILE . 1.3 mp -73.92 119.09 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.07 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 31.6 mtm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.913 179.74 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.522 HG13 ' N ' ' A' ' 52' ' ' ALA . 7.3 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.814 0.34 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 110' ' ' MET . . . -102.98 -28.19 12.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.79 -66.89 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -65.85 -33.9 76.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -57.02 -35.19 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.618 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 20.1 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 64' ' ' ILE . 2.2 m-20 -49.27 -59.21 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.565 HD11 ' HB3' ' A' ' 56' ' ' PHE . 2.9 mp -35.75 -67.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -38.75 -51.73 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' VAL . 23.5 m-80 -63.15 -62.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' ASN . 73.6 t -37.11 -50.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.8 t -66.16 -59.89 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 tp -45.62 -33.19 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -64.8 -40.46 95.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.7 m -58.26 -53.65 55.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.9 mt -67.1 -40.82 87.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -61.04 -44.54 97.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.24 -43.36 99.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -65.51 -43.66 89.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.922 HD12 HG21 ' A' ' 99' ' ' VAL . 4.5 tp -50.6 -51.95 43.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.488 ' HG2' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -54.22 -48.24 71.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.64 ' O ' HG22 ' A' ' 82' ' ' THR . 7.5 t -58.28 -57.98 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.542 HG21 ' HB2' ' A' ' 98' ' ' LEU . 42.7 mm -55.24 -30.46 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.125 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.415 HD13 HG21 ' A' ' 24' ' ' VAL . 4.6 tt -73.84 -57.85 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -47.72 -61.28 4.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 78' ' ' SER . 4.8 t -53.07 -18.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 0.0 111.081 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 79' ' ' ILE . 12.9 mt -97.81 163.76 12.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 85' ' ' VAL . 64.9 p -106.5 140.08 39.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.559 ' HA ' HD12 ' A' ' 88' ' ' ILE . 16.7 t -33.94 -52.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -51.08 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -38.3 -49.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 85' ' ' VAL . 58.2 mt -51.79 -52.93 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 90' ' ' GLN . 18.6 m-85 -62.74 -56.88 13.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 89' ' ' TYR . 5.6 mm-40 -35.75 -60.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.23 101.72 7.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -76.72 -56.64 4.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -47.83 -43.35 27.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -60.12 -47.1 87.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -48.87 -58.97 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.499 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -56.08 -40.32 73.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 32.5 ttmt -53.11 -33.74 53.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.542 ' HB2' HG21 ' A' ' 79' ' ' ILE . 28.1 mt -72.44 -45.54 59.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.922 HG21 HD12 ' A' ' 76' ' ' LEU . 21.2 t -61.6 -42.69 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.428 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 7.6 ptm180 -72.62 -27.2 62.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 97' ' ' LYS . 4.8 mm-40 -75.15 -36.53 61.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.3 p -82.37 -24.88 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.6 -30.55 18.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.79 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -47.57 -60.19 4.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.681 0.753 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.3 Cg_endo -69.74 -2.47 10.21 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.653 2.235 . . . . 0.0 112.398 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.47 -54.87 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.531 HG12 ' HE3' ' A' ' 110' ' ' MET . 19.1 m -55.56 -31.22 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.84 -23.35 37.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -65.76 -50.76 63.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.767 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 2.1 ptt? -70.82 -35.01 72.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 123.68 19.32 2.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.472 ' CD1' HG13 ' A' ' 42' ' ' ILE . 18.0 mm -113.03 142.93 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 111.159 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -118.97 134.76 54.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 114' ' ' ILE . 2.3 pp -81.92 134.91 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.934 HD21 ' HG2' ' A' ' 41' ' ' LYS . 4.0 mm? -85.94 -53.4 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.435 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 2.3 m -161.19 167.89 25.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.499 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.4 OUTLIER -146.04 125.43 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.664 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.8 m -139.68 173.56 11.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.664 ' H ' HG22 ' A' ' 118' ' ' THR . 19.9 mm -113.23 115.52 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -77.21 -72.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.76 148.81 52.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.779 HG22 HG22 ' A' ' 34' ' ' VAL . 29.3 t -142.74 105.04 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.478 ' N ' ' CD1' ' A' ' 123' ' ' TYR . 1.0 OUTLIER -127.25 170.47 12.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.449 ' HB3' HD13 ' A' ' 32' ' ' LEU . 31.7 p-10 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.4 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.841 0.353 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.414 ' O ' HG12 ' A' ' 40' ' ' VAL . 22.3 mtm -120.69 138.91 53.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.585 HG23 HE22 ' A' ' 39' ' ' GLN . 33.4 m -103.9 105.56 15.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -115.13 131.63 56.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.419 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -117.73 97.39 50.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.521 0.677 . . . . 0.0 110.914 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.4 Cg_endo -69.76 112.9 3.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.639 2.226 . . . . 0.0 112.367 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -112.87 144.41 42.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -135.45 116.23 14.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.554 ' CB ' HG23 ' A' ' 33' ' ' THR . 12.0 pt-20 -122.17 152.2 40.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 60.69 47.01 8.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 24' ' ' VAL . 18.6 m -116.68 91.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -51.27 113.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 30' ' ' VAL . 25.8 p -62.71 -178.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.15 -54.39 31.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.745 ' CD ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -59.16 -32.82 70.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 115.41 51.03 0.44 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 26' ' ' THR . 93.2 t -137.14 120.55 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.476 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -69.55 124.47 24.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 31' ' ' ALA . 2.7 mm? -121.2 165.79 14.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.554 HG23 ' CB ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -131.21 110.59 11.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.508 HG22 HG23 ' A' ' 122' ' ' VAL . 80.3 t -121.09 111.19 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.6 m -57.31 -53.9 52.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.03 138.31 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.458 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.6 t -145.91 128.17 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.8 149.34 36.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.585 HE22 HG23 ' A' ' 16' ' ' THR . 8.1 tp-100 -105.31 124.42 49.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 15' ' ' MET . 4.2 p -121.16 162.16 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.02 149.96 20.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.613 HD13 ' CD1' ' A' ' 112' ' ' ILE . 35.3 mm -67.01 139.39 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.476 ' HE1' ' HB2' ' A' ' 113' ' ' GLU . 8.4 mtm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.872 0.367 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.33 -34.16 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.167 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -46.15 -68.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.43 -10.8 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -83.6 -22.18 32.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.618 ' HZ ' HD11 ' A' ' 112' ' ' ILE . 19.0 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -59.13 -66.82 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.801 ' H ' HD12 ' A' ' 64' ' ' ILE . 5.0 mp -41.55 -58.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -45.1 -41.85 8.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -64.34 -56.69 12.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.5 t -47.14 -61.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.545 HG22 HG13 ' A' ' 112' ' ' ILE . 59.5 t -58.76 -48.71 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.75 -39.67 58.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -58.42 -54.36 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.0 m -42.46 -54.03 4.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD23 ' CB ' ' A' ' 103' ' ' ALA . 68.4 mt -66.09 -54.86 20.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -46.65 -66.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -36.91 -54.5 1.46 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.425 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -53.24 -52.55 58.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.662 HD12 HG21 ' A' ' 99' ' ' VAL . 20.7 tp -39.37 -53.78 1.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.419 ' HG2' HG11 ' A' ' 24' ' ' VAL . 3.7 tmm_? -61.01 -41.23 96.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.8 m -62.01 -58.82 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.416 HG21 ' HB2' ' A' ' 98' ' ' LEU . 34.4 mm -57.01 -25.14 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.605 ' CD2' HG22 ' A' ' 26' ' ' THR . 4.1 tt -80.49 -39.22 28.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.76 -49.0 73.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 t -68.33 -23.76 64.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.798 0.332 . . . . 0.0 111.174 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -93.47 160.7 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -95.99 166.13 11.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.421 ' HA ' HD12 ' A' ' 88' ' ' ILE . 1.5 p -64.75 -42.8 95.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -61.36 -38.17 85.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -64.56 -50.34 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.435 HD11 ' HG ' ' A' ' 80' ' ' LEU . 36.0 mt -50.17 -39.3 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' GLN . 14.3 m-85 -76.15 -48.23 21.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' TYR . 4.6 mm100 -35.3 -62.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -144.6 107.23 4.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -75.54 -41.71 54.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -46.76 -42.54 17.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.429 ' NE2' HD21 ' A' ' 98' ' ' LEU . 16.7 tm0? -68.81 -43.79 74.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -52.39 -63.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -45.54 -46.56 14.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -47.65 -40.96 21.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.429 HD21 ' NE2' ' A' ' 94' ' ' GLN . 16.8 mt -70.73 -39.56 73.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.662 HG21 HD12 ' A' ' 76' ' ' LEU . 61.3 t -64.16 -37.21 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.529 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 11.3 ptm180 -80.68 -24.34 38.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 8.8 mt-10 -76.08 -40.32 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.88 -25.08 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.461 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -94.41 -39.57 10.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.764 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.4 -60.24 0.43 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 111.069 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.764 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.7 Cg_endo -69.74 -28.33 25.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.317 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 103' ' ' ALA . 27.4 t0 -64.78 -54.94 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.475 ' HA ' ' CE ' ' A' ' 110' ' ' MET . 19.7 m -59.66 -38.47 75.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -45.22 -31.66 3.24 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.441 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 109' ' ' ARG . 17.0 mtp-105 -65.21 -46.73 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 107' ' ' VAL . 3.4 mpp? -71.18 -36.49 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 122.73 12.04 5.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.618 HD11 ' HZ ' ' A' ' 56' ' ' PHE . 44.4 mm -105.42 136.9 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.773 0.321 . . . . 0.0 111.107 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.476 ' HB2' ' HE1' ' A' ' 43' ' ' MET . 0.0 OUTLIER -112.25 146.59 37.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.506 HD12 ' O ' ' A' ' 114' ' ' ILE . 2.0 pp -99.95 135.59 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.2 mt -91.14 -54.6 3.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 35.1 m -157.19 160.9 39.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -139.09 119.39 13.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.657 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.4 m -125.49 173.73 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.657 ' H ' HG22 ' A' ' 118' ' ' THR . 37.3 mm -119.26 103.85 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 31.0 tttm -54.68 -71.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -144.22 159.56 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.508 HG23 HG22 ' A' ' 34' ' ' VAL . 2.4 p -145.34 117.65 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.182 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -133.16 161.72 33.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.1 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.785 0.326 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.417 ' CE ' HG21 ' A' ' 68' ' ' VAL . 1.1 ptt? -106.63 137.33 44.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.428 ' OG1' ' NE2' ' A' ' 39' ' ' GLN . 32.0 m -96.68 114.67 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.553 HD21 ' HB ' ' A' ' 68' ' ' VAL . 6.0 mp -110.65 129.34 55.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HG2' HG22 ' A' ' 37' ' ' VAL . 29.2 mt-30 -103.43 97.61 10.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.707 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 54.0 Cg_endo -69.75 80.52 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.624 2.216 . . . . 0.0 112.373 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' CB ' ' HA ' ' A' ' 35' ' ' THR . 39.1 ptt180 -102.35 147.18 27.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 t -143.63 141.41 30.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.64 147.94 51.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 73.29 38.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 24' ' ' VAL . 27.3 m -111.24 95.82 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -52.1 130.43 30.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.756 HG21 ' CG2' ' A' ' 85' ' ' VAL . 3.2 p -74.14 -178.88 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.26 -57.83 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -62.01 -30.77 71.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.95 55.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.489 ' O ' HD23 ' A' ' 32' ' ' LEU . 4.7 t -136.47 111.48 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.8 113.87 4.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 30' ' ' VAL . 4.1 mm? -116.57 165.18 13.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 m -122.6 108.93 13.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.619 HG22 HG12 ' A' ' 122' ' ' VAL . 84.8 t -112.96 121.79 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.413 ' HA ' ' CB ' ' A' ' 20' ' ' ARG . 4.5 m -72.39 -61.94 1.62 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.69 144.43 0.4 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.712 HG23 ' HB2' ' A' ' 120' ' ' LYS . 41.6 t -144.4 114.78 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 0.0 111.067 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.97 141.96 42.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.083 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.428 ' NE2' ' OG1' ' A' ' 16' ' ' THR . 5.9 tp60 -94.07 148.05 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.686 HG11 HG11 ' A' ' 68' ' ' VAL . 2.3 p -145.11 160.07 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.174 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.531 ' HG2' HD21 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -158.54 158.3 33.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.975 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.791 HD13 HD12 ' A' ' 112' ' ' ILE . 28.7 mm -84.12 149.13 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.472 ' SD ' ' N ' ' A' ' 113' ' ' GLU . 2.1 mpp? . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.916 0.389 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.41 -5.76 23.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.38 -34.54 72.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -90.55 -27.07 19.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -66.94 -26.48 66.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.574 ' HZ ' HD11 ' A' ' 112' ' ' ILE . 9.8 m-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.87 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -54.7 -48.93 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.478 ' H ' HD12 ' A' ' 64' ' ' ILE . 2.9 mp -52.28 -70.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -39.73 -48.19 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -60.54 -37.5 81.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 63' ' ' ASP . 65.0 t -64.64 -57.68 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.686 HG11 HG11 ' A' ' 40' ' ' VAL . 74.4 t -59.08 -35.37 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.7 tp -71.11 -38.41 72.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.981 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -57.58 -37.88 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 m -64.04 -53.97 41.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 99.1 mt -67.75 -58.41 4.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -45.55 -44.85 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.6 -60.36 9.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -47.71 -43.13 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.808 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.94 HD12 HG21 ' A' ' 99' ' ' VAL . 10.0 tp -45.55 -56.24 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -56.6 -43.93 80.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -55.59 -48.63 74.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.8 mm -70.28 -58.68 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.493 HD13 HG21 ' A' ' 24' ' ' VAL . 2.1 tt -39.86 -37.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.76 -58.71 9.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -76.31 1.14 16.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 111.174 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.691 HD12 ' CG1' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -101.43 118.41 36.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' VAL . 45.1 p -72.78 136.17 45.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.756 ' CG2' HG21 ' A' ' 26' ' ' THR . 18.3 t -37.73 -61.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -39.11 -63.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.403 ' HB2' ' CD1' ' A' ' 83' ' ' LEU . 78.9 mt-30 -46.53 -51.36 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.691 ' CG1' HD12 ' A' ' 83' ' ' LEU . 17.5 mt -48.63 -54.0 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -62.22 -54.29 43.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -39.56 -65.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.41 109.98 13.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -81.27 -46.67 14.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -48.66 -54.92 12.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -51.11 -49.53 60.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -45.78 -64.34 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -49.11 -54.45 16.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' ALA . 16.6 ttmm -35.48 -40.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.49 ' O ' HG12 ' A' ' 102' ' ' VAL . 7.7 mt -71.41 -47.34 56.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.94 HG21 HD12 ' A' ' 76' ' ' LEU . 46.4 t -58.34 -33.49 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.482 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 26.7 ptt180 -85.07 -29.39 24.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -71.87 -35.07 69.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 98' ' ' LEU . 7.1 p -81.65 -31.04 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -85.45 -35.64 21.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.766 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -36.26 -60.33 0.72 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 111.097 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.766 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.9 Cg_endo -69.75 -18.44 37.05 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' ALA . 5.6 t70 -77.41 -56.2 4.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.528 HG21 HG23 ' A' ' 114' ' ' ILE . 8.8 m -50.17 -42.14 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.92 -30.62 5.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.433 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -56.77 -56.44 21.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.482 ' CE ' HG12 ' A' ' 107' ' ' VAL . 10.0 ptt? -68.46 -33.38 74.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 120.77 28.1 1.79 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.791 HD12 HD13 ' A' ' 42' ' ' ILE . 29.7 mm -118.39 142.76 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.726 0.298 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.472 ' N ' ' SD ' ' A' ' 43' ' ' MET . 14.5 tt0 -118.61 127.98 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 114' ' ' ILE . 2.4 pp -77.57 130.96 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.531 HD21 ' HG2' ' A' ' 41' ' ' LYS . 67.5 mt -86.77 -57.23 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.9 m -153.33 149.25 27.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.491 ' CZ ' ' HG3' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -130.97 119.97 22.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.822 -179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.642 HG22 ' H ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER -133.23 175.96 8.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.642 ' H ' HG22 ' A' ' 118' ' ' THR . 15.2 mm -111.6 134.44 53.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.712 ' HB2' HG23 ' A' ' 37' ' ' VAL . 3.3 tppp? -88.09 -73.44 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -159.03 136.36 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.619 HG12 HG22 ' A' ' 34' ' ' VAL . 26.0 m -114.91 125.98 72.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -137.1 166.83 22.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 20.3 p-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.79 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.4 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.85 0.357 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.522 ' HG3' HG13 ' A' ' 40' ' ' VAL . 3.9 ptt? -131.18 134.16 46.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.9 m -86.79 105.18 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -98.89 121.02 40.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.512 ' HG2' HG22 ' A' ' 37' ' ' VAL . 70.2 mt-30 -104.0 97.44 11.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 54.3 Cg_endo -69.71 80.24 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.392 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -98.62 150.29 21.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.1 p -139.66 145.86 38.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 9.0 mm-40 -130.46 156.96 43.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.6 p-10 46.85 54.06 9.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 24' ' ' VAL . 32.6 m -116.72 84.89 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -42.18 135.49 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.631 HG21 HG23 ' A' ' 85' ' ' VAL . 1.4 p -74.27 -175.83 2.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.095 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.76 ' HB2' ' O ' ' A' ' 81' ' ' GLY . . . -58.15 -36.83 73.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.402 ' HG3' HG23 ' A' ' 30' ' ' VAL . 19.8 pt-20 -80.64 -47.66 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.7 49.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.422 ' O ' HD23 ' A' ' 32' ' ' LEU . 31.7 t -137.07 113.17 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.581 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -65.99 129.64 40.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 31' ' ' ALA . 4.0 mm? -126.5 163.42 23.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.7 m -119.48 102.57 8.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.941 HG22 HG12 ' A' ' 122' ' ' VAL . 71.9 t -108.14 111.22 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 m -64.61 -61.37 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.25 148.97 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.475 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.69 HG23 ' HB2' ' A' ' 120' ' ' LYS . 14.0 t -145.93 124.17 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 111.112 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.6 135.68 28.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.033 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -95.83 126.63 41.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.522 HG13 ' HG3' ' A' ' 15' ' ' MET . 8.1 p -127.06 162.68 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.513 ' N ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -155.31 155.1 33.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.4 mm -67.37 135.31 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.2 mtm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 52' ' ' ALA . 2.7 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.847 0.356 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.511 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -75.84 -43.62 44.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.9 m -49.0 -54.31 16.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.6 20.02 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -124.96 -24.08 4.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.527 ' HB3' HD11 ' A' ' 64' ' ' ILE . 23.3 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 67' ' ' VAL . 11.2 m-20 -45.46 -60.06 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.527 HD11 ' HB3' ' A' ' 56' ' ' PHE . 2.5 mp -36.76 -66.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 64' ' ' ILE . 12.8 mptt -36.21 -53.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -63.36 -42.88 98.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 63' ' ' ASP . 60.4 t -58.69 -59.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 112' ' ' ILE . 89.2 t -53.72 -30.86 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 47.6 tp -72.34 -43.31 64.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -53.11 -36.21 60.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.682 HG21 ' CG1' ' A' ' 107' ' ' VAL . 99.3 m -62.68 -59.84 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 103' ' ' ALA . 23.1 mt -66.85 -57.24 7.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -45.44 -50.43 12.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.51 -66.08 3.09 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -44.43 -47.09 9.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.798 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.004 HD12 HG21 ' A' ' 99' ' ' VAL . 12.4 tp -39.44 -55.79 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 77' ' ' ARG . 8.1 mtp-105 -48.82 -68.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 t -40.78 -42.78 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.6 mm -70.29 -36.8 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 80' ' ' LEU . 6.7 tt -69.74 -35.82 75.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.76 ' O ' ' HB2' ' A' ' 27' ' ' ALA . . . -60.35 -53.62 44.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.438 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 t -60.5 -20.34 59.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.342 . . . . 0.0 111.154 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.408 HD12 ' CD1' ' A' ' 95' ' ' PHE . 21.1 mt -99.92 145.81 27.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' VAL . 69.8 p -94.99 150.14 20.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.687 ' HA ' HD12 ' A' ' 88' ' ' ILE . 24.8 t -34.73 -65.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' GLN . 26.8 mt-10 -41.35 -69.01 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' GLU . 63.2 mt-30 -37.47 -53.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 85' ' ' VAL . 27.4 mt -47.95 -49.14 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.061 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 90' ' ' GLN . 38.6 m-85 -68.57 -50.64 50.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' TYR . 3.7 mm-40 -34.8 -64.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -130.7 117.9 20.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.574 ' HD2' HG21 ' A' ' 119' ' ' ILE . 10.0 mmt85 -79.92 -62.72 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.8 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -34.9 -56.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -49.34 -61.18 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CD1' HD12 ' A' ' 83' ' ' LEU . 10.8 t80 -40.92 -58.88 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.959 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.578 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -56.78 -50.48 72.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.405 ' O ' ' OE2' ' A' ' 101' ' ' GLU . 22.4 ttmt -40.92 -39.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.99 -41.24 74.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.004 HG21 HD12 ' A' ' 76' ' ' LEU . 42.3 t -62.72 -42.59 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 12.9 ptm180 -75.64 -36.27 60.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -63.98 -31.13 72.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 99' ' ' VAL . 12.2 p -87.84 -25.85 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.906 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -90.22 -21.8 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.759 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -55.45 -59.27 11.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.569 0.699 . . . . 0.0 111.083 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.759 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.6 Cg_endo -69.77 -15.0 36.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.588 2.192 . . . . 0.0 112.378 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.76 -63.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 103' ' ' ALA . 4.4 m -45.5 -35.24 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.87 -33.97 14.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 -55.82 -54.76 40.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.737 0.303 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.692 ' CE ' HG12 ' A' ' 107' ' ' VAL . 1.3 ptt? -66.52 -36.04 81.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 120.96 26.73 2.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.523 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.556 HG13 HG22 ' A' ' 68' ' ' VAL . 38.2 mm -115.76 140.1 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.798 0.333 . . . . 0.0 111.153 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -118.58 131.16 56.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 114' ' ' ILE . 2.5 pp -82.68 137.59 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.0 mt -95.87 -51.29 4.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.1 t -154.7 153.07 30.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.578 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -137.23 117.45 13.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.837 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.674 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.8 m -132.17 173.93 10.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.674 ' H ' HG22 ' A' ' 118' ' ' THR . 49.5 mm -109.61 122.16 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.115 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.69 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -73.8 -66.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -164.91 140.0 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.941 HG12 HG22 ' A' ' 34' ' ' VAL . 31.2 m -119.39 124.0 72.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -137.16 171.04 15.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.852 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.471 ' CG2' ' HG3' ' A' ' 39' ' ' GLN . 11.5 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.865 0.364 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.436 ' O ' HG12 ' A' ' 40' ' ' VAL . 2.5 mpp? -101.63 126.44 48.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.9 m -85.68 104.96 15.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.067 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.404 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 52.6 mt -112.05 113.27 25.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -100.6 99.28 9.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.551 0.691 . . . . 0.0 110.951 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.8 Cg_endo -69.75 95.64 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.527 ' HE ' HG23 ' A' ' 35' ' ' THR . 10.0 ttm180 -107.41 138.48 43.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.507 ' SG ' HG11 ' A' ' 24' ' ' VAL . 1.3 t -129.22 144.93 51.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -129.78 142.02 50.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.92 53.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 24' ' ' VAL . 29.9 m -118.88 100.21 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -60.76 132.2 53.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.572 HG21 ' HB ' ' A' ' 85' ' ' VAL . 48.4 p -76.03 172.23 13.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.19 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.476 ' CA ' ' O ' ' A' ' 81' ' ' GLY . . . -34.52 -63.47 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.071 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HG3' HG23 ' A' ' 30' ' ' VAL . 7.3 pt-20 -56.16 -52.12 65.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 141.83 44.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.522 HG12 HD22 ' A' ' 32' ' ' LEU . 88.3 t -120.63 116.88 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 111.078 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.13 118.34 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD22 HG12 ' A' ' 30' ' ' VAL . 3.1 mm? -118.87 160.78 21.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.795 HG21 ' CZ ' ' A' ' 123' ' ' TYR . 21.4 m -119.76 101.73 8.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.811 HG22 HG12 ' A' ' 122' ' ' VAL . 58.3 t -108.31 122.74 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.527 HG23 ' HE ' ' A' ' 20' ' ' ARG . 89.6 m -72.87 -48.09 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.7 146.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 6.0 t -151.36 124.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.26 160.43 40.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.471 ' HG3' ' CG2' ' A' ' 14' ' ' ILE . 5.5 tp60 -114.46 147.63 39.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 15' ' ' MET . 8.9 p -146.67 159.31 10.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 40' ' ' VAL . 32.0 pttt -149.51 155.25 40.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.73 HD13 HD12 ' A' ' 112' ' ' ILE . 37.3 mm -79.82 117.28 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.6 mtt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.807 179.838 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.805 0.336 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.02 16.3 21.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.0 m -94.26 -12.69 27.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.86 -16.17 7.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.703 ' NE2' ' CZ ' ' A' ' 56' ' ' PHE . 7.3 pt20 -66.73 -13.14 61.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.703 ' CZ ' ' NE2' ' A' ' 55' ' ' GLN . 22.5 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.852 0.358 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.23 -48.29 80.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.571 HG13 ' CD1' ' A' ' 56' ' ' PHE . 3.3 mp -49.02 -69.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' ILE . 2.9 mptt -34.79 -44.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -63.22 -45.27 92.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' ILE . 88.0 t -55.95 -55.8 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.1 -48.21 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 tp -56.82 -34.96 68.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -61.51 -50.13 73.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.3 m -48.14 -48.49 34.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.555 HD23 ' CB ' ' A' ' 103' ' ' ALA . 70.2 mt -71.68 -37.97 70.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 74' ' ' GLY . 16.3 mt-10 -63.84 -67.15 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -35.74 -50.33 1.07 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.445 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' LEU . 52.3 m-70 -63.05 -45.79 90.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.359 . . . . 0.0 110.827 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.603 HD12 HG21 ' A' ' 99' ' ' VAL . 6.5 tp -36.84 -65.19 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -50.42 -52.62 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 m -51.08 -35.97 37.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.1 mm -79.32 -38.75 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.512 ' CD2' HG22 ' A' ' 26' ' ' THR . 1.9 tt -66.46 -32.27 73.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.476 ' O ' ' CA ' ' A' ' 27' ' ' ALA . . . -66.68 -57.09 10.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.543 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 t -56.74 -30.9 64.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.792 0.33 . . . . 0.0 111.082 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.456 HD11 ' HG ' ' A' ' 98' ' ' LEU . 12.1 mt -92.74 138.35 31.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 76.0 p -73.54 153.32 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.947 ' HA ' HD12 ' A' ' 88' ' ' ILE . 1.0 OUTLIER -53.54 -48.64 58.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.59 -54.11 37.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -47.9 -45.34 30.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.947 HD12 ' HA ' ' A' ' 85' ' ' VAL . 19.1 mt -52.6 -53.55 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' GLN . 38.8 m-85 -61.9 -56.29 20.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' TYR . 6.6 mm-40 -35.48 -64.19 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -127.78 83.58 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -53.25 -43.85 67.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -51.04 -41.24 59.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.495 ' O ' HD23 ' A' ' 98' ' ' LEU . 7.4 tp-100 -55.02 -69.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -40.26 -48.26 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.579 ' HB1' ' HD1' ' A' ' 117' ' ' PHE . . . -53.79 -40.82 66.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -69.82 -43.41 72.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 94' ' ' GLN . 3.5 mm? -47.21 -37.51 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.643 ' O ' HG12 ' A' ' 102' ' ' VAL . 2.1 t -76.32 -65.13 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 13.1 ptt180 -48.3 -23.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -74.91 -37.22 62.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 99' ' ' VAL . 10.2 p -85.4 -26.23 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.12 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.555 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -84.56 -46.39 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.793 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.68 -60.62 0.43 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.496 0.665 . . . . 0.0 111.066 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.0 Cg_endo -69.78 -22.22 32.29 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.73 2.287 . . . . 0.0 112.372 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 103' ' ' ALA . 5.5 t0 -74.41 -59.56 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.627 HG21 HG23 ' A' ' 114' ' ' ILE . 24.0 m -54.55 -21.49 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.53 -40.94 99.27 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.593 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.7 mtt-85 -58.8 -39.94 82.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.3 mtm -72.69 -43.75 62.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.11 24.36 1.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.73 HD12 HD13 ' A' ' 42' ' ' ILE . 46.7 mm -121.87 141.3 42.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.725 0.298 . . . . 0.0 111.116 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -114.75 136.87 52.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.627 HG23 HG21 ' A' ' 107' ' ' VAL . 1.9 pp -91.69 143.5 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.479 ' N ' HD22 ' A' ' 115' ' ' LEU . 2.9 mm? -89.81 -51.83 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.9 t -166.29 173.96 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.579 ' HD1' ' HB1' ' A' ' 96' ' ' ALA . 3.7 t80 -144.95 134.42 23.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.649 HG22 ' H ' ' A' ' 119' ' ' ILE . 3.7 m -150.25 171.33 17.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.649 ' H ' HG22 ' A' ' 118' ' ' THR . 14.9 mm -103.47 140.85 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 27.3 tttm -97.02 -53.39 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -166.2 135.74 3.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.811 HG12 HG22 ' A' ' 34' ' ' VAL . 34.0 m -128.21 125.07 63.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.795 ' CZ ' HG21 ' A' ' 33' ' ' THR . 34.1 p90 -137.35 174.47 10.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.6 t0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.783 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 40' ' ' VAL . 56.0 mt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.802 0.334 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.416 ' O ' HG12 ' A' ' 40' ' ' VAL . 56.6 mtm -123.06 139.7 53.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.479 HG23 ' OE1' ' A' ' 39' ' ' GLN . 21.9 m -99.92 105.35 17.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.53 HD13 ' CG1' ' A' ' 40' ' ' VAL . 10.8 mp -111.01 119.88 40.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -102.43 97.44 8.84 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.962 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 53.9 Cg_endo -69.75 107.02 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -117.54 157.23 26.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -143.89 134.48 24.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.807 ' HG2' HG23 ' A' ' 33' ' ' THR . 69.0 mt-10 -129.58 143.55 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t70 65.84 51.69 1.36 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 24' ' ' VAL . 18.0 m -120.93 100.66 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.89 132.4 53.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.531 HG21 ' CG2' ' A' ' 85' ' ' VAL . 2.2 p -71.7 -175.89 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 81' ' ' GLY . . . -59.58 -38.06 80.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -76.46 -42.19 44.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.66 54.71 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.523 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.426 HG12 ' CD2' ' A' ' 32' ' ' LEU . 47.8 t -142.88 119.5 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 111.129 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.564 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -70.33 125.01 25.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 31' ' ' ALA . 4.2 mm? -126.68 161.89 27.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.844 HG21 ' CE2' ' A' ' 123' ' ' TYR . 25.0 m -120.71 125.79 48.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.544 HG13 HG22 ' A' ' 122' ' ' VAL . 57.5 t -130.51 112.75 23.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.9 m -57.19 -58.63 7.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.73 133.66 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.8 t -138.97 120.34 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.843 0.354 . . . . 0.0 111.052 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.38 131.92 27.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.479 ' OE1' HG23 ' A' ' 16' ' ' THR . 8.6 tp60 -87.55 142.37 27.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.543 HG22 ' N ' ' A' ' 41' ' ' LYS . 7.8 p -138.49 165.42 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.543 ' N ' HG22 ' A' ' 40' ' ' VAL . 4.5 pttm -157.05 138.82 14.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.493 HD13 HD12 ' A' ' 112' ' ' ILE . 45.9 mm -63.49 129.98 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.3 mtm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.824 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.87 0.367 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.605 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -111.99 -35.05 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.3 t -41.16 -68.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.59 -42.77 99.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -48.89 -40.48 30.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.605 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 24.2 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.758 0.313 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 67' ' ' VAL . 48.1 t0 -39.27 -55.81 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.734 ' H ' HD12 ' A' ' 64' ' ' ILE . 5.3 mp -41.51 -67.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' ILE . 70.8 mttt -36.53 -41.7 0.31 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -76.49 -38.79 54.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 64' ' ' ILE . 78.9 t -60.85 -58.18 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.28 -38.86 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.18 -48.49 81.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -55.85 -32.87 64.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 86.7 m -60.79 -63.4 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.5 mt -62.3 -41.62 98.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -57.79 -62.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.66 -49.49 4.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.417 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -59.57 -44.1 93.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.949 HD12 HG21 ' A' ' 99' ' ' VAL . 8.3 tp -48.6 -54.11 15.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.543 ' HG2' HG11 ' A' ' 24' ' ' VAL . 36.3 mtm-85 -46.8 -59.76 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -53.67 -54.65 34.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.3 mm -53.17 -33.04 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 tt -75.08 -42.13 57.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.742 ' O ' ' HB2' ' A' ' 27' ' ' ALA . . . -55.19 -58.32 14.32 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.518 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.46 HG23 ' HG ' ' A' ' 83' ' ' LEU . 8.8 t -52.87 -26.64 15.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.172 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.46 ' HG ' HG23 ' A' ' 82' ' ' THR . 75.9 mt -97.39 143.61 27.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.607 HG22 ' HB3' ' A' ' 27' ' ' ALA . 72.1 p -90.75 154.17 19.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.755 ' HA ' HD12 ' A' ' 88' ' ' ILE . 50.8 t -41.06 -44.07 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -57.67 -57.47 12.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -52.19 -43.93 64.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 85' ' ' VAL . 74.0 mt -50.97 -62.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' GLN . 59.0 m-85 -61.0 -49.59 76.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' TYR . 13.7 mt-30 -35.97 -65.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.52 105.51 8.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.82 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.4 mtt85 -78.76 -49.89 12.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -46.15 -51.19 14.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 97' ' ' LYS . 20.4 tt0 -59.64 -55.98 27.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -40.5 -46.58 2.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.96 -36.17 77.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 94' ' ' GLN . 16.9 ttmm -61.23 -47.23 87.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.7 mp -53.57 -24.16 12.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.949 HG21 HD12 ' A' ' 76' ' ' LEU . 43.6 t -83.37 -63.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.227 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 3.6 ptp180 -52.11 -28.32 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 5.5 mm-40 -72.04 -50.59 27.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 99' ' ' VAL . 12.7 p -70.24 -26.01 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -85.51 -42.8 14.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.37 -60.56 0.41 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.575 0.702 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.7 Cg_endo -69.74 -23.72 30.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.743 2.295 . . . . 0.0 112.286 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 103' ' ' ALA . 22.4 t0 -72.81 -59.08 2.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.479 HG12 ' CE ' ' A' ' 110' ' ' MET . 6.9 m -46.59 -44.18 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -38.79 -31.01 0.11 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.551 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 21.9 mtp85 -57.21 -56.75 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.504 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 4.5 ptt? -70.16 -33.03 71.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 114.97 35.78 1.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.421 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.493 HD12 HD13 ' A' ' 42' ' ' ILE . 31.4 mm -122.43 139.74 48.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.817 0.342 . . . . 0.0 111.091 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -114.01 132.13 56.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.433 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.1 pp -81.15 141.35 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.8 mt -99.75 -45.13 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.8 m -168.48 150.62 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -133.37 103.53 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 119' ' ' ILE . 3.2 m -121.73 166.49 14.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.502 ' H ' HG22 ' A' ' 118' ' ' THR . 31.7 mm -97.0 149.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.68 -73.87 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -139.15 155.35 47.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.544 HG22 HG13 ' A' ' 34' ' ' VAL . 93.8 t -146.11 125.83 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.844 ' CE2' HG21 ' A' ' 33' ' ' THR . 3.9 p90 -133.89 173.84 11.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.6 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.8 0.333 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -104.32 133.9 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 m -91.8 104.1 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.708 HD22 HG11 ' A' ' 40' ' ' VAL . 7.7 mp -107.08 123.83 48.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.478 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 15.6 mp0 -101.98 97.51 8.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 110.981 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 85.07 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -101.53 140.7 35.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.581 ' SG ' HD23 ' A' ' 76' ' ' LEU . 73.3 m -134.26 111.05 9.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.498 ' OE2' ' N ' ' A' ' 23' ' ' ASP . 2.6 tp10 -103.44 149.73 24.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.498 ' N ' ' OE2' ' A' ' 22' ' ' GLU . 69.7 m-20 64.77 54.72 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.639 HG21 HD13 ' A' ' 80' ' ' LEU . 16.3 m -122.53 92.01 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HA ' ' N ' ' A' ' 31' ' ' ALA . 30.7 mt-10 -50.34 127.39 17.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.659 HG21 ' HB ' ' A' ' 85' ' ' VAL . 60.5 p -71.61 -175.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.74 -50.14 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 12.0 pt-20 -69.55 -38.16 77.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.472 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 122.26 51.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.591 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' ALA . 53.3 t -132.08 90.95 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.204 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -34.26 120.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.591 HD21 HG23 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -117.12 139.66 50.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.453 ' H ' HD13 ' A' ' 32' ' ' LEU . 1.7 m -101.31 113.99 27.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.701 HG13 HG22 ' A' ' 122' ' ' VAL . 65.9 t -123.9 117.74 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.9 m -70.03 -59.69 2.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.19 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.68 139.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.453 HG23 ' HB2' ' A' ' 120' ' ' LYS . 15.8 t -143.25 119.58 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 111.099 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.76 156.2 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -107.58 134.43 50.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.708 HG11 HD22 ' A' ' 17' ' ' LEU . 7.4 p -133.68 149.8 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' CE ' ' OE2' ' A' ' 113' ' ' GLU . 9.1 pttt -144.13 149.1 35.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.698 HD13 ' CD1' ' A' ' 112' ' ' ILE . 4.5 mm -70.76 125.13 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.1 mtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.865 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.819 0.342 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.469 ' O ' ' CD2' ' A' ' 56' ' ' PHE . . . -105.23 -11.05 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.33 -68.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.54 -24.59 32.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -75.8 -25.24 56.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.469 ' CD2' ' O ' ' A' ' 52' ' ' ALA . 10.5 m-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.799 0.333 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.8 -61.07 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.508 ' H ' HD12 ' A' ' 64' ' ' ILE . 3.0 mp -39.96 -61.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -46.76 -44.71 19.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -63.12 -61.58 2.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.8 t -40.76 -50.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.621 HG22 HG13 ' A' ' 112' ' ' ILE . 60.6 t -65.9 -56.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.3 tp -45.98 -34.75 4.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 71' ' ' THR . 85.6 mt-30 -58.24 -64.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 70' ' ' GLN . 11.9 m -37.41 -61.37 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.502 HD23 ' CB ' ' A' ' 103' ' ' ALA . 70.5 mt -59.65 -44.79 93.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 76' ' ' LEU . 11.8 mt-10 -58.25 -69.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -37.05 -50.45 1.55 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.573 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.415 ' CG ' HG13 ' A' ' 102' ' ' VAL . 70.2 m-70 -60.44 -37.8 82.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.687 HD12 HG21 ' A' ' 99' ' ' VAL . 5.0 tp -57.31 -50.59 72.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -59.1 -43.91 91.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 t -66.46 -39.04 88.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' A' ' 98' ' ' LEU . 24.0 mm -73.55 -29.26 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.639 HD13 HG21 ' A' ' 24' ' ' VAL . 6.5 tt -76.49 -58.93 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -43.95 -52.66 6.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.3 t -60.53 -31.77 70.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 111.088 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.57 159.44 24.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.6 p -97.1 133.16 42.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.659 ' HB ' HG21 ' A' ' 26' ' ' THR . 1.7 p -40.54 -49.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -52.07 -59.26 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -44.02 -54.93 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 71.7 mt -41.04 -63.14 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -51.98 -44.46 64.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -56.24 -68.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.27 110.87 18.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' ASP . 31.2 mtt180 -83.24 -57.0 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 92' ' ' ARG . 4.1 m-20 -37.09 -52.77 1.0 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.411 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 17.5 tp60 -51.21 -56.09 14.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.564 ' O ' HG23 ' A' ' 99' ' ' VAL . 21.3 t80 -54.93 -43.68 73.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.784 ' HB2' HG12 ' A' ' 119' ' ' ILE . . . -68.39 -19.26 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -84.14 -50.17 8.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.522 ' HB3' HD12 ' A' ' 79' ' ' ILE . 8.4 mp -52.1 -18.78 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.687 HG21 HD12 ' A' ' 76' ' ' LEU . 18.8 t -92.63 -49.68 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 17.8 ptt180 -67.13 -19.69 65.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 18.4 pt-20 -84.56 -39.2 19.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' A' ' 103' ' ' ALA . 2.0 p -76.51 -39.62 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.502 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -73.84 -33.55 64.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.806 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -44.97 -60.87 2.66 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.549 0.69 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.2 Cg_endo -69.73 -1.77 9.01 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -95.53 -57.95 2.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.585 HG12 ' CE ' ' A' ' 110' ' ' MET . 14.2 m -52.93 -25.41 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.55 -6.23 10.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -84.58 -42.06 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.585 ' CE ' HG12 ' A' ' 107' ' ' VAL . 8.1 ptt? -80.39 -32.68 37.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 123.7 12.04 4.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.698 ' CD1' HD13 ' A' ' 42' ' ' ILE . 26.8 mm -103.64 148.25 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 111.194 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.415 ' OE2' ' CE ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -126.46 141.85 51.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.48 ' C ' HD12 ' A' ' 114' ' ' ILE . 1.9 pp -93.13 142.41 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 58.0 mt -97.25 -51.36 4.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.3 t -159.45 164.58 34.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.447 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -139.49 125.78 20.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.4 160.14 38.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.784 HG12 ' HB2' ' A' ' 96' ' ' ALA . 9.5 mm -103.28 105.59 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.453 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -64.93 -74.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.822 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -137.34 150.76 47.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.81 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.701 HG22 HG13 ' A' ' 34' ' ' VAL . 38.8 t -144.78 105.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -129.66 163.43 26.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.486 ' CG2' ' HG2' ' A' ' 39' ' ' GLN . 46.0 mt . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -106.4 134.36 49.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -92.06 106.09 18.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 69' ' ' LEU . 10.3 mp -110.19 120.55 42.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.487 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 0.7 OUTLIER -104.21 97.51 11.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.56 0.695 . . . . 0.0 110.921 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.9 Cg_endo -69.67 89.79 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.743 2.296 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -101.18 140.95 34.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.0 m -140.94 135.0 30.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -128.94 155.18 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.5 t70 67.9 50.98 0.8 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.754 HG21 HD13 ' A' ' 80' ' ' LEU . 26.8 m -122.71 93.55 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -52.11 127.54 21.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.435 HG21 HG23 ' A' ' 85' ' ' VAL . 10.6 p -69.4 -177.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.424 ' CA ' ' O ' ' A' ' 81' ' ' GLY . . . -48.2 -56.54 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.49 ' HG3' HG23 ' A' ' 30' ' ' VAL . 6.4 pt-20 -64.57 -48.42 75.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.38 54.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.49 HG23 ' HG3' ' A' ' 28' ' ' GLU . 21.4 t -134.76 110.54 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.414 ' HA ' ' C ' ' A' ' 24' ' ' VAL . . . -68.05 116.71 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.073 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.556 ' CD2' HG22 ' A' ' 85' ' ' VAL . 3.3 mm? -112.42 165.48 12.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 m -126.1 107.24 10.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.2 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.922 HG22 HG12 ' A' ' 122' ' ' VAL . 53.5 t -109.31 111.33 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.9 m -59.28 -48.82 80.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.48 142.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.525 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.406 HG22 ' CG ' ' A' ' 18' ' ' GLN . 20.6 t -149.67 107.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.093 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 116' ' ' SER . . . -126.98 151.33 48.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.486 ' HG2' ' CG2' ' A' ' 14' ' ' ILE . 7.5 tt0 -106.91 128.39 54.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.432 HG22 ' N ' ' A' ' 41' ' ' LYS . 9.9 p -123.93 159.73 28.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.047 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.566 ' HG2' HD21 ' A' ' 115' ' ' LEU . 25.8 pttt -149.95 146.42 27.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.449 HD13 HD12 ' A' ' 112' ' ' ILE . 27.7 mm -67.68 124.19 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.1 mtm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.85 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 52' ' ' ALA . 4.2 p . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.872 0.367 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.775 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -100.88 -31.23 11.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.136 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -38.72 -61.97 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -71.65 -38.5 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -52.77 -34.59 53.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.775 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 24.2 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.655 ' N ' HE21 ' A' ' 62' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -42.84 -63.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.2 mp -42.58 -61.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -42.77 -45.12 4.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -66.6 -47.85 71.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.8 t -52.76 -58.42 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.1 -57.42 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 17' ' ' LEU . 8.9 tp -45.26 -46.52 12.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -57.75 -44.44 86.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.1 m -48.57 -62.37 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.47 HD23 ' HB1' ' A' ' 103' ' ' ALA . 69.0 mt -59.42 -48.56 81.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -47.85 -60.27 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -41.69 -57.74 3.26 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -51.24 -44.64 61.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.808 HD12 HG21 ' A' ' 99' ' ' VAL . 11.5 tp -44.39 -47.03 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.3 tmm_? -57.98 -69.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.782 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -38.24 -60.97 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.4 mm -52.09 -34.96 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.754 HD13 HG21 ' A' ' 24' ' ' VAL . 5.8 tt -69.41 -53.95 16.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.424 ' O ' ' CA ' ' A' ' 27' ' ' ALA . . . -45.88 -55.99 6.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 t -60.65 -21.7 63.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 0.0 111.133 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.822 HD23 ' CG1' ' A' ' 88' ' ' ILE . 7.4 tp -91.02 156.68 17.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 67.5 p -104.25 144.08 32.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.556 HG22 ' CD2' ' A' ' 32' ' ' LEU . 4.6 t -38.82 -46.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -55.11 -67.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -39.95 -54.34 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.822 ' CG1' HD23 ' A' ' 83' ' ' LEU . 78.2 mt -45.91 -54.39 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' GLN . 34.0 m-85 -64.8 -63.81 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' TYR . 25.7 mm100 -36.75 -59.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -122.2 112.78 18.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -85.87 -43.15 13.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.28 -59.99 3.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.409 HE21 HD11 ' A' ' 98' ' ' LEU . 44.8 tp60 -42.59 -63.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.424 ' CD1' HD22 ' A' ' 83' ' ' LEU . 20.5 t80 -40.12 -60.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.788 ' HB2' HD13 ' A' ' 119' ' ' ILE . . . -52.81 -63.18 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' ALA . 15.5 ttmm -35.71 -51.15 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.409 HD11 HE21 ' A' ' 94' ' ' GLN . 6.3 mp -53.8 -41.27 67.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.808 HG21 HD12 ' A' ' 76' ' ' LEU . 42.3 t -63.66 -55.15 24.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.179 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.488 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 9.2 ptt180 -62.44 -24.81 67.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 53.0 mt-10 -73.86 -46.51 44.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 p -73.77 -24.45 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.187 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -85.62 -44.24 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -34.27 -60.61 0.48 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.589 0.709 . . . . 0.0 111.07 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.782 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.2 Cg_endo -69.84 -21.58 32.91 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.618 2.212 . . . . 0.0 112.307 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 103' ' ' ALA . 11.9 t70 -74.89 -59.87 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.413 HG21 HG23 ' A' ' 114' ' ' ILE . 17.5 m -46.52 -36.2 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.16 -34.26 12.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -53.33 -57.16 11.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.723 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 10.8 ptt? -67.99 -33.59 74.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.03 33.84 1.45 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.449 HD12 HD13 ' A' ' 42' ' ' ILE . 50.7 mm -121.48 142.25 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 111.132 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -114.96 134.61 55.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.443 ' C ' HD12 ' A' ' 114' ' ' ILE . 1.9 pp -85.19 151.29 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.566 HD21 ' HG2' ' A' ' 41' ' ' LYS . 67.7 mt -106.29 -45.71 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.423 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 5.6 t -168.28 160.44 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.488 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 1.5 t80 -140.78 121.51 14.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.451 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.9 m -133.4 165.28 25.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.788 HD13 ' HB2' ' A' ' 96' ' ' ALA . 0.3 OUTLIER -106.18 114.84 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -67.81 -65.29 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -160.23 137.0 9.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.922 HG12 HG22 ' A' ' 34' ' ' VAL . 33.2 m -118.79 125.44 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -136.85 164.3 28.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.535 HG22 ' NE2' ' A' ' 39' ' ' GLN . 54.5 mt . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.786 0.327 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.548 ' CG ' HG13 ' A' ' 40' ' ' VAL . 13.1 ptt? -98.76 126.5 44.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.439 HG22 HE22 ' A' ' 18' ' ' GLN . 87.0 m -80.34 114.36 19.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.62 HD12 HG11 ' A' ' 40' ' ' VAL . 57.5 mt -124.63 110.91 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -103.55 96.74 9.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.6 Cg_endo -69.74 114.81 3.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.274 . . . . 0.0 112.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HG2' HG23 ' A' ' 35' ' ' THR . 20.1 mtm180 -104.98 158.55 16.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -144.39 107.92 4.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.655 ' HB3' HG23 ' A' ' 33' ' ' THR . 12.9 pt-20 -116.33 155.12 29.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.56 44.81 14.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 24' ' ' VAL . 27.5 m -116.11 106.46 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.11 117.18 5.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 30' ' ' VAL . 32.1 p -62.13 -175.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.191 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.98 -51.93 53.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -70.86 -36.2 72.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.454 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 126.6 51.05 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.441 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.748 HG12 ' CD2' ' A' ' 32' ' ' LEU . 92.3 t -126.1 113.38 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 111.141 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.09 111.83 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.748 ' CD2' HG12 ' A' ' 30' ' ' VAL . 4.2 mm? -114.32 164.74 13.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.655 HG23 ' HB3' ' A' ' 22' ' ' GLU . 6.8 m -129.12 101.62 6.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.435 HG22 HG23 ' A' ' 122' ' ' VAL . 59.1 t -111.04 107.84 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.422 HG23 ' HG2' ' A' ' 20' ' ' ARG . 91.2 m -57.05 -48.55 78.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.194 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.5 139.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.514 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.65 HG23 ' HB2' ' A' ' 120' ' ' LYS . 18.0 t -137.8 142.52 35.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 111.143 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.62 166.65 30.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.535 ' NE2' HG22 ' A' ' 14' ' ' ILE . 5.2 mm100 -116.97 145.35 43.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.62 HG11 HD12 ' A' ' 17' ' ' LEU . 7.6 p -147.99 158.57 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.447 ' N ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -147.5 161.03 41.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.67 HD13 HD12 ' A' ' 112' ' ' ILE . 41.6 mm -91.19 93.95 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.572 ' HE2' ' C ' ' A' ' 112' ' ' ILE . 12.1 mtm . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.536 HG13 ' N ' ' A' ' 52' ' ' ALA . 6.7 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.827 0.346 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.806 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -108.72 -22.16 12.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.27 -60.78 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.813 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -72.65 -34.14 67.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -58.26 -26.69 63.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.806 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 23.8 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.693 ' O ' HG23 ' A' ' 67' ' ' VAL . 8.8 t0 -52.24 -49.32 64.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.656 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.5 mp -64.02 -64.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' ILE . 34.9 mtpt -36.99 -40.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -68.65 -59.27 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 63' ' ' ASP . 56.6 t -41.75 -52.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.608 HG11 HG21 ' A' ' 40' ' ' VAL . 60.5 t -64.83 -56.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tp -46.31 -38.57 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -54.22 -60.7 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.6 m -39.12 -56.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.61 -58.39 7.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -39.4 -62.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.4 -55.07 9.47 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -51.26 -50.44 59.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.792 0.329 . . . . 0.0 110.839 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.976 HD12 HG21 ' A' ' 99' ' ' VAL . 10.5 tp -48.34 -43.5 33.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.526 ' HG3' HG11 ' A' ' 24' ' ' VAL . 25.1 ttm180 -65.05 -40.05 94.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.9 t -66.88 -59.7 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.1 mm -49.37 -40.2 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.3 -51.63 55.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -43.58 -52.17 6.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.8 t -68.31 -18.76 64.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.42 HD23 ' CG1' ' A' ' 88' ' ' ILE . 7.0 tp -93.57 141.7 28.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.8 p -80.48 139.25 36.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.659 ' HA ' HD12 ' A' ' 88' ' ' ILE . 7.4 p -43.49 -33.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -71.45 -47.8 53.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -55.1 -43.31 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 85' ' ' VAL . 53.9 mt -51.61 -40.88 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' GLN . 30.4 m-85 -72.91 -51.57 18.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 89' ' ' TYR . 5.9 mm-40 -33.92 -63.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.66 105.51 4.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 94' ' ' GLN . 77.3 mtt180 -72.4 -57.54 4.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' ARG . 1.6 m-20 -37.52 -31.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 92' ' ' ARG . 57.6 tp60 -77.98 -47.75 17.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 92' ' ' ARG . 6.6 t80 -55.75 -50.22 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.867 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -65.7 -41.52 92.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -50.06 -35.02 23.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.562 ' O ' HG12 ' A' ' 102' ' ' VAL . 5.0 mp -70.52 -35.13 73.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.976 HG21 HD12 ' A' ' 76' ' ' LEU . 37.7 t -66.11 -43.36 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 24.3 ptt180 -75.95 -26.29 56.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -74.55 -41.59 60.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 98' ' ' LEU . 9.3 p -77.7 -25.07 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 104' ' ' ALA . . . -90.11 -47.2 7.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.765 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -29.32 -59.07 0.25 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.634 0.731 . . . . 0.0 111.1 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.765 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.3 Cg_endo -69.81 -34.12 15.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 103' ' ' ALA . 2.8 t70 -63.09 -53.17 57.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 108' ' ' GLY . 15.9 m -59.14 -48.06 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.492 ' N ' HG23 ' A' ' 107' ' ' VAL . . . -36.13 -48.76 1.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -44.95 -50.27 10.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.9 mtm -68.13 -41.61 81.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 125.53 31.16 0.85 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.67 HD12 HD13 ' A' ' 42' ' ' ILE . 50.6 mm -121.93 136.16 59.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.311 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.403 ' N ' ' HE2' ' A' ' 43' ' ' MET . 21.9 tt0 -113.18 137.16 51.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.68 HD12 ' O ' ' A' ' 114' ' ' ILE . 2.4 pp -94.66 128.94 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.605 ' N ' HD22 ' A' ' 115' ' ' LEU . 1.7 mm? -74.22 -51.26 15.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.976 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.7 m -165.08 -178.25 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.867 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 2.2 t80 -148.42 149.51 31.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -165.22 164.57 20.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 48.1 mm -103.17 114.68 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.65 ' HB2' HG23 ' A' ' 37' ' ' VAL . 3.0 tppt? -68.37 -68.14 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -152.15 145.69 24.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.435 HG23 HG22 ' A' ' 34' ' ' VAL . 2.4 p -131.48 119.85 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -137.13 155.08 50.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.9 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.847 0.356 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.57 ' HE2' HD12 ' A' ' 42' ' ' ILE . 3.0 ptt? -129.09 132.56 47.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.559 HG22 ' OE1' ' A' ' 18' ' ' GLN . 20.3 m -96.49 109.73 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -111.76 125.38 53.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.559 ' OE1' HG22 ' A' ' 16' ' ' THR . 1.1 mp0 -105.06 97.49 13.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.676 0.75 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.9 Cg_endo -69.68 96.75 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.776 2.318 . . . . 0.0 112.368 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 ptt-85 -108.42 140.21 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.809 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.766 ' HB2' HD23 ' A' ' 76' ' ' LEU . 50.5 m -143.31 113.79 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' HB3' HG23 ' A' ' 33' ' ' THR . 11.3 pt-20 -106.55 155.85 19.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.781 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 18.8 t70 67.63 45.77 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.816 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.866 HG12 ' HD2' ' A' ' 77' ' ' ARG . 34.5 m -104.76 109.3 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.08 105.97 1.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.599 HG21 ' CG2' ' A' ' 85' ' ' VAL . 71.6 p -56.64 -176.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 81' ' ' GLY . . . -52.91 -47.22 68.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.435 ' HG3' HG23 ' A' ' 30' ' ' VAL . 9.7 pt-20 -65.86 -40.79 92.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.47 50.23 0.2 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.516 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.435 HG23 ' HG3' ' A' ' 28' ' ' GLU . 22.1 t -132.69 125.92 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 0.0 111.077 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 23' ' ' ASP . . . -71.43 123.48 22.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.473 HD22 ' O ' ' A' ' 31' ' ' ALA . 2.4 mm? -121.07 165.86 14.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.41 HG23 ' HB3' ' A' ' 22' ' ' GLU . 2.9 m -122.18 114.72 21.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.198 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.5 t -124.79 110.79 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.5 m -60.45 -54.17 48.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.93 142.83 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.419 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.463 HG23 ' HB2' ' A' ' 120' ' ' LYS . 18.6 t -146.96 118.1 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.99 153.16 48.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.46 ' HG2' HD22 ' A' ' 115' ' ' LEU . 7.1 tt0 -105.21 152.1 23.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.529 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 7.1 p -155.59 158.22 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.669 ' CG ' HD11 ' A' ' 115' ' ' LEU . 4.5 ptmt -158.72 148.58 19.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.57 HD12 ' HE2' ' A' ' 15' ' ' MET . 1.1 mp -67.97 138.29 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.517 ' O ' HG22 ' A' ' 42' ' ' ILE . 25.1 mtt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.822 0.344 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.518 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -121.32 19.82 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -88.97 -34.47 16.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -106.26 -22.6 12.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.485 ' OE1' ' CB ' ' A' ' 110' ' ' MET . 2.9 tt0 -68.62 -27.82 66.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.518 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 22.8 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.777 0.322 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.58 -56.41 19.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 64' ' ' ILE . 2.6 mp -38.5 -66.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -44.76 -41.57 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 67' ' ' VAL . 6.5 m-80 -68.76 -66.64 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' ASN . 57.8 t -35.24 -49.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.37 -48.71 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.3 tp -55.58 -52.32 64.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -48.89 -43.87 39.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 48.1 m -51.66 -63.99 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.431 HD23 ' CB ' ' A' ' 103' ' ' ALA . 68.3 mt -58.71 -47.97 82.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -51.53 -68.78 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.42 -39.09 1.07 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.568 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -70.64 -42.9 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.371 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.766 HD23 ' HB2' ' A' ' 21' ' ' CYS . 8.2 tp -43.87 -53.45 6.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.866 ' HD2' HG12 ' A' ' 24' ' ' VAL . 28.6 ttt-85 -65.83 -64.45 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 77' ' ' ARG . 1.8 m -36.22 -47.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' LEU . 11.1 mm -73.41 -56.01 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.764 HD13 HG21 ' A' ' 24' ' ' VAL . 7.9 tt -35.87 -42.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.525 ' O ' ' HB2' ' A' ' 27' ' ' ALA . . . -56.91 -45.56 91.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 79' ' ' ILE . 69.7 p -50.25 -32.42 16.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 111.219 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.4 mt -97.24 167.46 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 85' ' ' VAL . 68.4 p -105.55 149.06 26.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.599 ' CG2' HG21 ' A' ' 26' ' ' THR . 19.0 t -36.59 -48.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -56.4 -69.52 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -39.41 -57.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 85' ' ' VAL . 71.1 mt -39.93 -49.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.212 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.581 ' CE1' HG13 ' A' ' 122' ' ' VAL . 28.1 m-85 -67.91 -54.06 21.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 89' ' ' TYR . 12.5 mm100 -34.54 -59.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -133.75 91.74 2.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -56.34 -43.58 79.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.5 -56.04 26.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -41.48 -44.39 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.84 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.802 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -43.89 -42.02 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -48.31 -44.76 34.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.435 ' O ' HG12 ' A' ' 102' ' ' VAL . 13.4 mt -70.27 -29.79 66.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.979 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.462 HG21 HD12 ' A' ' 76' ' ' LEU . 87.9 t -72.73 -35.73 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.474 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 7.0 ptt180 -85.25 -29.76 24.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 100' ' ' ARG . 30.4 mm-40 -70.81 -33.05 70.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 98' ' ' LEU . 8.1 p -79.74 -32.24 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.581 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -80.93 -36.87 30.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.78 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -34.43 -60.26 0.52 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.543 0.687 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.78 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.0 Cg_endo -69.75 -21.81 33.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.621 2.214 . . . . 0.0 112.365 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 103' ' ' ALA . 14.2 t0 -75.59 -60.73 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.911 HG12 ' CE ' ' A' ' 110' ' ' MET . 2.1 m -51.66 -23.78 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.38 -23.81 62.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -65.06 -52.81 53.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.719 0.295 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.911 ' CE ' HG12 ' A' ' 107' ' ' VAL . 11.8 ptt? -70.47 -31.72 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.401 ' C ' HD13 ' A' ' 112' ' ' ILE . . . 119.37 19.97 4.08 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.449 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.529 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 9.8 mm -111.06 145.6 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -123.33 136.7 54.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 114' ' ' ILE . 2.3 pp -79.59 126.49 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.669 HD11 ' CG ' ' A' ' 41' ' ' LYS . 10.8 mp -87.56 -52.64 5.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 t -154.79 150.05 27.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.635 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 1.7 t80 -137.88 115.64 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.649 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.8 m -132.19 171.84 13.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.649 ' H ' HG22 ' A' ' 118' ' ' THR . 16.8 mm -107.51 137.63 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.463 ' HB2' HG23 ' A' ' 37' ' ' VAL . 16.0 ttmt -92.52 -69.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -148.69 144.97 27.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.581 HG13 ' CE1' ' A' ' 89' ' ' TYR . 2.4 p -132.6 118.19 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.128 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -132.95 162.99 30.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.0 mt . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.778 0.323 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.3 mtm -100.32 129.07 46.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.5 m -90.28 106.61 18.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.513 HD13 ' CG1' ' A' ' 40' ' ' VAL . 10.2 mp -115.39 119.25 35.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -108.36 97.6 23.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.722 . . . . 0.0 110.912 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.2 Cg_endo -69.83 112.08 2.99 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.713 2.275 . . . . 0.0 112.288 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -114.23 153.62 29.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.9 p -139.0 130.91 27.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 37.7 mt-10 -126.17 160.91 28.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.4 p30 46.62 47.27 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 m -118.24 119.25 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 31' ' ' ALA . 1.9 mm-40 -80.06 152.6 29.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.748 HG22 ' CD2' ' A' ' 80' ' ' LEU . 4.2 p -100.76 176.11 5.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -36.12 -39.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -76.26 -41.76 47.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' THR . . . 124.59 15.1 3.35 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 26' ' ' THR . 2.5 t -92.98 121.71 43.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 0.0 111.077 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.457 ' N ' ' OE1' ' A' ' 25' ' ' GLU . . . -69.79 119.38 13.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 30' ' ' VAL . 3.3 mm? -115.49 158.93 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -120.93 103.95 9.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.867 HG13 HG22 ' A' ' 122' ' ' VAL . 21.5 t -115.79 126.53 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.7 m -80.35 -54.11 6.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.0 146.05 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 120' ' ' LYS . 22.4 t -148.98 125.44 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 116' ' ' SER . . . -145.74 155.68 43.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -108.95 137.68 46.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.513 ' CG1' HD13 ' A' ' 17' ' ' LEU . 9.8 p -136.35 157.86 37.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HE2' HD21 ' A' ' 115' ' ' LEU . 23.7 pttt -151.38 156.3 40.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mt -87.3 135.76 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.479 ' CE ' ' HB2' ' A' ' 113' ' ' GLU . 62.1 mtm . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.849 0.357 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.74 -36.51 6.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 4.6 m -58.5 -47.93 82.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -78.3 -11.06 59.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -90.38 -16.89 28.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.434 ' CD1' HG13 ' A' ' 64' ' ' ILE . 26.6 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.873 0.368 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -59.74 -45.3 92.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.434 HG13 ' CD1' ' A' ' 56' ' ' PHE . 2.8 mp -58.39 -58.15 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.54 -45.83 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -56.96 -63.26 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.9 t -40.65 -59.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.9 t -57.05 -44.48 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.2 tp -55.31 -41.1 71.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -59.37 -35.85 74.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 26.6 m -63.18 -60.04 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.487 HD23 ' CB ' ' A' ' 103' ' ' ALA . 96.2 mt -62.97 -44.33 96.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -60.43 -52.53 64.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.91 -40.98 27.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 78' ' ' SER . 36.1 m80 -70.31 -52.12 25.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.674 HD12 HG21 ' A' ' 99' ' ' VAL . 12.0 tp -35.39 -52.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -65.41 -39.57 92.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 75' ' ' HIS . 27.9 p -60.27 -46.64 89.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.7 mm -66.79 -45.51 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.748 ' CD2' HG22 ' A' ' 26' ' ' THR . 3.6 tt -57.3 -49.5 75.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -44.97 -51.05 8.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.2 t -75.46 -13.91 60.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 95' ' ' PHE . 3.3 tp -98.42 123.71 42.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.411 ' O ' HD12 ' A' ' 88' ' ' ILE . 38.7 p -65.88 141.0 58.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.556 ' HA ' HD13 ' A' ' 88' ' ' ILE . 7.4 p -45.77 -39.7 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.52 -36.07 71.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.19 -53.36 25.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.568 HG13 HD23 ' A' ' 83' ' ' LEU . 3.6 mp -43.88 -47.64 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -72.2 -52.71 15.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -41.8 -61.6 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.92 107.84 8.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -81.06 -52.41 7.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.89 -35.99 16.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.788 ' O ' HD12 ' A' ' 98' ' ' LEU . 21.1 tm0? -71.41 -40.75 70.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.576 ' CD1' HD22 ' A' ' 83' ' ' LEU . 22.7 t80 -64.22 -35.14 79.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.559 ' HB1' ' HD1' ' A' ' 117' ' ' PHE . . . -71.29 -15.25 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -81.88 -51.41 8.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 94' ' ' GLN . 5.4 mp -51.18 -17.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.674 HG21 HD12 ' A' ' 76' ' ' LEU . 22.2 t -89.93 -65.48 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.573 ' HB3' ' CD2' ' A' ' 117' ' ' PHE . 9.5 ptt180 -56.72 -24.71 51.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -75.32 -32.72 61.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 99' ' ' VAL . 14.0 p -89.0 -22.25 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -90.76 -29.59 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.799 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -50.39 -60.76 4.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.799 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.1 Cg_endo -69.71 -1.78 9.02 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.76 -60.15 1.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 103' ' ' ALA . 4.8 m -53.24 -37.97 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -45.22 -51.26 9.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -48.15 -49.33 32.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 45.1 mtm -65.11 -34.16 77.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.25 0.65 7.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.452 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 35.4 mm -101.24 142.86 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.479 ' HB2' ' CE ' ' A' ' 43' ' ' MET . 2.8 tp10 -126.05 132.3 51.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.432 HG23 HG21 ' A' ' 107' ' ' VAL . 2.3 pp -80.44 142.98 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.415 HD21 ' HE2' ' A' ' 41' ' ' LYS . 95.5 mt -96.65 -51.36 4.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.405 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 3.8 t -156.6 168.68 26.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 100' ' ' ARG . 1.9 t80 -146.75 129.58 16.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.639 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.8 m -144.4 172.33 13.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.639 ' H ' HG22 ' A' ' 118' ' ' THR . 27.6 mm -110.88 125.32 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.441 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -81.78 -72.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -139.89 145.03 37.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.867 HG22 HG13 ' A' ' 34' ' ' VAL . 19.8 t -139.98 110.12 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 123' ' ' TYR . 1.5 p90 -128.97 171.02 12.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 17.8 p-10 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.5 mt . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.868 0.366 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.478 ' HG3' HD13 ' A' ' 17' ' ' LEU . 2.5 ptt? -108.6 137.03 47.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.1 m -94.05 110.08 21.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.478 HD13 ' HG3' ' A' ' 15' ' ' MET . 9.2 mp -113.52 113.35 25.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -106.08 97.46 15.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 113.01 3.23 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -114.03 132.85 55.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.611 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.8 m -112.26 138.96 48.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 54.2 mt-10 -128.85 151.14 49.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.539 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 2.9 p-10 46.68 49.89 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 24' ' ' VAL . 35.7 m -105.01 105.75 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -60.38 126.86 29.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.55 HG22 HD21 ' A' ' 80' ' ' LEU . 41.4 p -75.78 -175.2 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 81' ' ' GLY . . . -45.17 -56.29 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' HG3' HG23 ' A' ' 30' ' ' VAL . 13.6 pt-20 -66.27 -43.45 86.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 134.42 41.8 0.15 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.539 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.51 HG12 ' CD2' ' A' ' 32' ' ' LEU . 96.5 t -114.12 124.03 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 111.156 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' A' ' 23' ' ' ASP . . . -71.3 120.29 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.806 HD21 HG23 ' A' ' 85' ' ' VAL . 4.2 mm? -120.37 164.91 15.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.418 HG21 ' CE2' ' A' ' 123' ' ' TYR . 14.7 m -128.12 112.83 15.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.577 HG13 HG22 ' A' ' 122' ' ' VAL . 57.5 t -120.77 116.22 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 m -65.99 -52.51 48.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.55 146.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 24.3 t -151.62 119.74 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.095 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 116' ' ' SER . . . -141.52 142.56 33.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -89.4 154.96 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.457 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 8.7 p -157.32 144.69 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.537 ' HG2' HD21 ' A' ' 115' ' ' LEU . 21.6 pttt -137.9 160.85 38.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.664 HD13 ' CD1' ' A' ' 112' ' ' ILE . 47.2 mm -81.12 112.49 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 42' ' ' ILE . 6.8 mtt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 52' ' ' ALA . 4.4 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.79 0.329 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.484 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -99.5 -40.84 7.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.3 m -44.17 -65.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -61.63 -36.31 80.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -53.16 -32.16 46.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.546 ' CD1' HG13 ' A' ' 64' ' ' ILE . 6.3 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.458 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 56.6 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.637 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -48.28 -56.26 8.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.751 ' H ' HD12 ' A' ' 64' ' ' ILE . 5.3 mp -52.13 -70.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -38.34 -42.32 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 62' ' ' GLN . 53.5 m-80 -66.62 -62.16 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 63' ' ' ASP . 63.4 t -40.0 -61.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.8 t -53.73 -48.48 60.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -53.76 -47.31 70.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -53.31 -44.55 68.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.455 HG21 ' CG1' ' A' ' 107' ' ' VAL . 62.7 m -50.06 -62.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.447 HD23 ' CB ' ' A' ' 103' ' ' ALA . 26.6 mt -63.8 -53.59 48.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -44.09 -59.2 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.02 -48.73 45.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -59.79 -38.45 81.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.374 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.615 HD12 HG21 ' A' ' 99' ' ' VAL . 10.3 tp -50.23 -45.12 53.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -74.42 -34.63 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.2 p -63.25 -50.22 71.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.478 ' O ' ' C ' ' A' ' 80' ' ' LEU . 36.5 mm -67.13 -65.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.55 HD21 HG22 ' A' ' 26' ' ' THR . 6.1 tt -31.55 -40.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.481 ' O ' ' HB2' ' A' ' 27' ' ' ALA . . . -42.95 -67.7 0.9 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 79' ' ' ILE . 5.5 t -46.49 -34.77 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.132 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.7 mt -79.98 140.09 36.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.6 p -87.26 145.79 26.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.806 HG23 HD21 ' A' ' 32' ' ' LEU . 7.7 p -39.78 -43.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.452 ' N ' HG13 ' A' ' 85' ' ' VAL . 2.9 tt0 -61.58 -68.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -38.99 -53.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 70.2 mt -41.99 -62.18 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.421 ' CE2' HD11 ' A' ' 32' ' ' LEU . 38.6 m-85 -52.56 -51.4 59.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -49.8 -64.34 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.18 78.82 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.54 ' HG3' HG21 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -80.85 -24.35 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.414 ' N ' ' HG2' ' A' ' 92' ' ' ARG . 0.9 OUTLIER -56.72 -51.15 69.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -61.18 -48.56 80.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -41.39 -55.87 2.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.861 ' HB2' HD11 ' A' ' 119' ' ' ILE . . . -44.38 -47.31 9.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 100' ' ' ARG . 10.9 ttmm -53.46 -57.49 10.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.585 ' O ' HG12 ' A' ' 102' ' ' VAL . 9.1 mp -41.22 -27.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.615 HG21 HD12 ' A' ' 76' ' ' LEU . 11.4 t -84.9 -40.93 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.48 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 21.5 ptt85 -67.44 -36.37 81.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.461 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 0.8 OUTLIER -70.77 -47.02 61.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 98' ' ' LEU . 7.2 p -68.37 -27.75 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.447 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -85.87 -39.83 16.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.763 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -34.0 -60.11 0.49 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.55 0.691 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.763 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.2 Cg_endo -69.76 -32.38 18.7 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -61.11 -53.18 60.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.455 ' CG1' HG21 ' A' ' 71' ' ' THR . 16.7 m -61.95 -43.22 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -37.81 -52.23 1.99 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.465 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -42.6 -51.15 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 51.0 mtm -65.85 -43.17 89.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.818 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 125.34 33.32 0.73 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.664 ' CD1' HD13 ' A' ' 42' ' ' ILE . 20.3 mm -123.69 135.47 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.782 0.325 . . . . 0.0 111.183 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -110.04 131.76 54.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.409 HD11 ' NH1' ' A' ' 100' ' ' ARG . 2.3 pp -89.6 140.56 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.537 HD21 ' HG2' ' A' ' 41' ' ' LYS . 3.1 mm? -89.58 -55.72 3.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.983 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.439 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 1.4 t -158.91 174.56 14.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.816 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.734 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -147.95 119.33 7.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.614 HG22 ' H ' ' A' ' 119' ' ' ILE . 5.0 m -135.07 170.17 16.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.861 HD11 ' HB2' ' A' ' 96' ' ' ALA . 23.9 mm -100.29 137.92 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -99.5 -52.24 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -162.16 142.91 10.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.577 HG22 HG13 ' A' ' 34' ' ' VAL . 90.3 t -137.48 119.98 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.418 ' CE2' HG21 ' A' ' 33' ' ' THR . 2.2 p90 -136.02 171.31 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 21.9 p-10 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.2 mt . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.893 0.377 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.496 ' CE ' HG21 ' A' ' 68' ' ' VAL . 14.4 ptt? -118.78 126.04 50.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 m -79.47 108.46 13.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.765 HD12 HG11 ' A' ' 40' ' ' VAL . 81.3 mt -114.04 109.85 19.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -100.74 99.18 9.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HA ' HD11 ' A' ' 69' ' ' LEU . 53.4 Cg_endo -69.76 101.19 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.708 2.272 . . . . 0.0 112.374 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -106.29 129.6 54.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.611 ' HB3' HG11 ' A' ' 24' ' ' VAL . 72.3 m -123.86 111.98 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.491 ' CB ' HG23 ' A' ' 33' ' ' THR . 10.1 pt-20 -107.77 154.78 21.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 59.04 43.04 18.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 24' ' ' VAL . 21.7 m -104.05 102.41 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.58 114.42 4.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.66 HG22 HD21 ' A' ' 80' ' ' LEU . 1.2 p -76.09 179.96 5.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -40.85 -54.82 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -59.51 -29.36 67.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' THR . . . 112.93 -6.13 25.65 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.456 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.633 ' O ' HG23 ' A' ' 26' ' ' THR . 10.9 t -75.45 130.31 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 111.132 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.89 119.4 23.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -115.08 165.62 12.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.491 HG23 ' CB ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -124.77 104.8 8.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.77 HG22 HG12 ' A' ' 122' ' ' VAL . 78.2 t -108.56 113.09 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.0 m -65.25 -54.07 34.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.191 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.01 141.63 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.422 HG23 ' HB2' ' A' ' 120' ' ' LYS . 10.5 t -145.38 112.72 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.186 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -131.62 153.71 49.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -105.32 145.32 30.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.765 HG11 HD12 ' A' ' 17' ' ' LEU . 7.5 p -147.92 153.04 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' NZ ' HD11 ' A' ' 115' ' ' LEU . 6.1 pttm -143.76 158.43 43.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.612 HD13 ' CD1' ' A' ' 112' ' ' ILE . 18.7 mm -81.11 123.72 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.6 mtm . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.796 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.776 0.322 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.513 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -113.63 -40.75 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 5.0 t -40.8 -59.29 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -70.29 -31.67 69.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -61.16 -31.16 70.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.616 ' HB3' HD11 ' A' ' 64' ' ' ILE . 18.7 m-85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.771 0.32 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.815 ' O ' HG23 ' A' ' 67' ' ' VAL . 7.5 m-20 -48.79 -46.99 42.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 56' ' ' PHE . 6.0 mt -54.86 -70.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.522 ' N ' HG22 ' A' ' 64' ' ' ILE . 43.0 mttt -39.03 -36.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -72.33 -48.6 40.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 63' ' ' ASP . 48.8 t -51.12 -49.09 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.59 HG22 HG13 ' A' ' 112' ' ' ILE . 88.7 t -65.09 -48.35 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.454 HD11 ' HA ' ' A' ' 19' ' ' PRO . 9.3 tp -58.28 -34.48 70.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -62.07 -39.56 92.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 82.7 m -60.15 -56.85 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.408 HD23 ' CB ' ' A' ' 103' ' ' ALA . 96.4 mt -62.15 -41.92 98.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.1 -58.83 6.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -43.96 -45.76 7.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.421 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.737 ' ND1' ' HB2' ' A' ' 103' ' ' ALA . 41.3 m80 -60.18 -36.63 78.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.592 HD12 HG21 ' A' ' 99' ' ' VAL . 12.9 tp -57.84 -61.9 2.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.403 ' CD ' HG12 ' A' ' 24' ' ' VAL . 25.1 ttt180 -54.23 -42.23 69.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -61.07 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.428 HG22 ' HE1' ' A' ' 95' ' ' PHE . 22.8 mm -54.35 -32.59 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.66 HD21 HG22 ' A' ' 26' ' ' THR . 5.4 tt -72.06 -42.2 66.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -49.81 -53.88 20.11 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.9 t -68.26 -26.56 65.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 111.124 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.715 HD22 ' CE1' ' A' ' 95' ' ' PHE . 7.4 tp -83.66 134.63 34.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.0 p -72.95 154.36 40.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.556 ' HA ' HD12 ' A' ' 88' ' ' ILE . 4.3 p -59.67 -42.73 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -61.02 -35.32 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -68.46 -50.28 53.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 85' ' ' VAL . 36.4 mt -46.72 -37.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 90' ' ' GLN . 32.9 m-85 -76.19 -46.05 30.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 89' ' ' TYR . 18.7 mt-30 -38.14 -67.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.88 120.01 18.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 95' ' ' PHE . 44.0 mtm180 -87.55 -58.92 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' ARG . 1.7 p-10 -37.24 -43.23 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.78 -40.58 92.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.715 ' CE1' HD22 ' A' ' 83' ' ' LEU . 9.3 t80 -55.96 -63.74 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.442 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -46.79 -40.8 14.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -51.18 -38.2 50.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.1 mt -76.21 -39.66 54.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.592 HG21 HD12 ' A' ' 76' ' ' LEU . 61.0 t -66.85 -29.22 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.503 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 7.6 ptp180 -86.85 -29.07 22.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.409 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 3.6 mm-40 -74.26 -37.81 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.9 p -72.25 -36.73 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.737 ' HB2' ' ND1' ' A' ' 75' ' ' HIS . . . -83.15 -38.2 22.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.06 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.717 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.35 -58.07 0.53 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 55.0 Cg_endo -69.72 -26.58 27.6 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.379 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.0 OUTLIER -70.54 -55.66 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.685 HG21 HG23 ' A' ' 114' ' ' ILE . 6.1 m -48.09 -32.72 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.89 -30.76 70.37 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.98 -47.88 83.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.863 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.443 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 3.0 ptt? -76.58 -30.68 57.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.33 26.8 3.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.439 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.612 ' CD1' HD13 ' A' ' 42' ' ' ILE . 28.3 mm -117.78 145.58 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -118.11 140.8 49.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.685 HG23 HG21 ' A' ' 107' ' ' VAL . 1.7 pp -96.25 136.37 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.191 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.691 ' N ' HD22 ' A' ' 115' ' ' LEU . 1.5 mm? -89.24 -48.76 7.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.957 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.04 157.43 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.471 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 1.6 t80 -130.66 123.42 29.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.467 HG22 ' H ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER -127.18 168.64 14.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.467 ' H ' HG22 ' A' ' 118' ' ' THR . 41.2 mm -113.17 104.29 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.422 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -56.17 -74.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -158.45 142.87 15.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.77 HG12 HG22 ' A' ' 34' ' ' VAL . 35.7 m -120.92 124.51 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.072 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -137.13 164.88 27.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.6 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.824 0.345 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.419 ' CG ' HG13 ' A' ' 40' ' ' VAL . 2.9 ptt? -125.11 139.36 53.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.423 HG23 ' OE1' ' A' ' 39' ' ' GLN . 6.6 m -100.48 104.49 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.527 HD12 HG11 ' A' ' 40' ' ' VAL . 86.6 mt -100.82 125.6 47.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG2' HG22 ' A' ' 37' ' ' VAL . 47.0 mt-30 -105.18 97.48 13.59 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.429 ' HA ' ' CD ' ' A' ' 73' ' ' GLU . 54.4 Cg_endo -69.8 86.37 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -95.69 131.06 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.7 p -123.43 123.27 40.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.74 142.36 51.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 t70 69.31 47.91 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 24' ' ' VAL . 35.0 m -115.73 105.8 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -59.89 133.11 55.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.453 HG22 ' CD2' ' A' ' 80' ' ' LEU . 71.9 p -83.57 -175.41 5.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.212 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.49 -53.17 4.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.89 -43.6 71.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.45 28.94 0.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.9 t -99.09 131.05 47.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.779 0.323 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.37 111.48 20.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.83 165.93 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -128.35 107.98 10.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.437 HG22 ' CG2' ' A' ' 122' ' ' VAL . 99.2 t -119.43 119.58 61.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.1 m -68.21 -54.99 13.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.06 142.68 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.544 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.715 HG23 ' HB2' ' A' ' 120' ' ' LYS . 53.3 t -140.75 126.5 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.89 146.98 33.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.441 ' CG ' HD22 ' A' ' 115' ' ' LEU . 15.5 tp60 -103.43 132.7 49.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.527 HG11 HD12 ' A' ' 17' ' ' LEU . 8.4 p -135.53 155.12 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 1.012 ' HG2' HD11 ' A' ' 115' ' ' LEU . 7.1 pttm -144.17 150.89 38.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.52 HD13 ' CD1' ' A' ' 112' ' ' ILE . 49.8 mm -75.15 103.58 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.515 ' HE3' ' C ' ' A' ' 112' ' ' ILE . 7.1 mtm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.838 0.352 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.821 ' HB2' ' O ' ' A' ' 110' ' ' MET . . . -108.24 -29.86 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.7 t -42.67 -68.98 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.27 -32.4 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -58.73 -24.72 62.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.662 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 23.6 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.817 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.44 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 40.1 mt-30 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.732 0.301 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.778 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.0 m-20 -62.94 -51.14 68.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.537 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.8 mp -60.07 -59.54 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -43.31 -37.86 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 62' ' ' GLN . 73.0 m-20 -77.49 -63.32 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 63' ' ' ASP . 84.0 t -36.88 -43.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -75.89 -62.06 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -42.54 -33.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -67.69 -42.73 81.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.477 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 18.0 m -54.12 -54.85 33.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.2 mt -68.49 -48.43 64.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' CD ' ' HA ' ' A' ' 19' ' ' PRO . 3.7 mm-40 -51.55 -58.76 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.92 -52.87 15.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 71' ' ' THR . 63.9 m-70 -52.34 -42.13 63.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.808 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.813 HD12 HG21 ' A' ' 99' ' ' VAL . 12.8 tp -51.7 -54.91 23.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -55.28 -42.68 73.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.2 t -61.86 -59.05 5.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.606 HG22 ' HE1' ' A' ' 95' ' ' PHE . 35.7 mm -60.28 -29.24 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 80' ' ' LEU . 5.4 tt -75.99 -28.64 57.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.53 -55.26 18.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 t -67.05 -12.08 58.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.795 0.331 . . . . 0.0 111.086 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.4 tp -103.15 133.62 47.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.2 p -74.59 148.94 40.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.071 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.571 ' HA ' HD12 ' A' ' 88' ' ' ILE . 2.0 p -48.12 -37.77 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.02 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -38.58 -53.16 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 85' ' ' VAL . 53.3 mt -40.02 -44.41 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.561 ' HE1' HG13 ' A' ' 122' ' ' VAL . 57.7 m-85 -73.44 -49.09 28.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' TYR . 12.7 mm100 -35.1 -64.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.43 88.69 2.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -62.33 -56.8 14.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -45.78 -42.07 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -61.4 -49.04 78.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.606 ' HE1' HG22 ' A' ' 79' ' ' ILE . 23.6 t80 -50.52 -62.21 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.76 -44.47 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -49.73 -38.67 34.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.639 ' O ' HG12 ' A' ' 102' ' ' VAL . 24.2 mt -69.88 -43.97 70.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.813 HG21 HD12 ' A' ' 76' ' ' LEU . 61.6 t -61.4 -40.22 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.489 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 4.3 ptp180 -76.57 -35.26 58.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.469 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 41.5 mt-10 -68.43 -42.18 79.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 98' ' ' LEU . 11.7 p -76.23 -25.72 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.581 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -86.94 -33.18 19.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.688 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -45.31 -56.53 9.22 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.546 0.689 . . . . 0.0 111.08 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.688 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.9 Cg_endo -69.77 -19.63 35.82 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.407 ' HB2' ' HA ' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -78.69 -60.99 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.883 HG12 ' CE ' ' A' ' 110' ' ' MET . 4.6 m -47.28 -38.74 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.36 -29.09 6.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -59.95 -46.18 90.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.883 ' CE ' HG12 ' A' ' 107' ' ' VAL . 7.6 ptt? -77.9 -33.62 51.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.17 37.69 1.0 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.52 ' CD1' HD13 ' A' ' 42' ' ' ILE . 7.0 mm -122.72 145.14 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -116.52 130.44 56.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.439 HG23 HG21 ' A' ' 107' ' ' VAL . 2.3 pp -84.47 140.33 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.012 HD11 ' HG2' ' A' ' 41' ' ' LYS . 7.1 mp -95.1 -51.9 4.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 t -163.96 152.35 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.489 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.7 OUTLIER -130.39 106.27 8.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.6 m -120.15 169.24 10.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.558 ' H ' HG22 ' A' ' 118' ' ' THR . 43.1 mm -103.76 139.08 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.715 ' HB2' HG23 ' A' ' 37' ' ' VAL . 1.6 tppt? -94.89 -72.38 0.62 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -148.23 143.9 27.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.561 HG13 ' HE1' ' A' ' 89' ' ' TYR . 2.3 p -131.57 115.78 29.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -131.76 174.49 10.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.2 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.832 0.348 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.736 ' SD ' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -121.98 138.38 54.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 m -96.19 116.6 29.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.479 HD13 ' HG2' ' A' ' 15' ' ' MET . 7.3 mp -113.21 126.33 55.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.419 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 6.1 mp0 -103.46 97.44 10.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.535 ' O ' HD22 ' A' ' 76' ' ' LEU . 53.9 Cg_endo -69.74 91.72 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -106.15 157.85 17.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' HB3' HG11 ' A' ' 24' ' ' VAL . 13.8 m -141.7 140.4 33.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -129.33 145.38 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 57.74 44.57 20.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.82 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 24' ' ' VAL . 14.5 m -108.17 75.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -39.56 124.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.793 HG23 ' O ' ' A' ' 30' ' ' VAL . 76.3 p -67.94 -175.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.85 -54.73 17.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.451 ' HG2' HG23 ' A' ' 30' ' ' VAL . 1.5 pm0 -70.04 -16.09 63.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.67 47.1 1.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.793 ' O ' HG23 ' A' ' 26' ' ' THR . 57.9 t -120.58 104.0 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.88 0.372 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.33 110.38 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.782 ' CD2' HG12 ' A' ' 30' ' ' VAL . 3.9 mm? -113.13 151.23 31.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.8 m -108.97 104.62 13.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.577 HG22 HG22 ' A' ' 122' ' ' VAL . 77.0 t -110.88 119.14 58.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.0 m -70.54 -58.85 3.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.39 143.02 0.21 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 65.0 t -146.75 121.87 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.6 141.78 30.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -94.82 147.28 23.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.736 HG13 ' SD ' ' A' ' 15' ' ' MET . 8.7 p -148.16 161.06 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 40' ' ' VAL . 18.3 pttt -154.18 159.49 41.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.463 HD13 ' CD1' ' A' ' 112' ' ' ILE . 32.7 mm -78.85 121.38 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.5 mtt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.756 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.575 HG13 ' N ' ' A' ' 52' ' ' ALA . 7.5 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.828 0.347 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 110' ' ' MET . . . -104.47 18.34 22.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.5 t -89.28 -65.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -73.12 -24.12 60.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.594 ' OE1' ' CZ ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -61.31 -18.53 58.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.594 ' CZ ' ' OE1' ' A' ' 55' ' ' GLN . 23.1 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' ASP . 16.3 mt-30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.911 0.386 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 64' ' ' ILE . 7.6 t70 -36.14 -63.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.615 ' H ' HD12 ' A' ' 64' ' ' ILE . 3.6 mp -36.33 -64.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -38.2 -49.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -62.12 -36.43 81.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 64' ' ' ILE . 84.6 t -65.4 -64.76 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.43 HG22 HG13 ' A' ' 112' ' ' ILE . 97.8 t -50.7 -29.07 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.411 ' CA ' HD23 ' A' ' 17' ' ' LEU . 36.7 tp -72.77 -41.57 64.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -58.97 -32.74 69.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 89.2 m -65.33 -61.06 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.2 -38.76 90.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -59.16 -53.79 54.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.67 -43.0 53.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.46 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.589 ' ND1' ' HB2' ' A' ' 103' ' ' ALA . 40.0 m80 -62.61 -36.91 84.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.535 HD22 ' O ' ' A' ' 19' ' ' PRO . 4.3 tp -59.16 -44.03 92.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.434 ' NE ' HG12 ' A' ' 24' ' ' VAL . 45.3 ttt180 -69.39 -40.24 77.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -64.89 -50.64 65.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.782 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 43.1 mm -65.04 -36.94 78.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.426 HD21 HG22 ' A' ' 26' ' ' THR . 6.8 tt -70.39 -44.44 68.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.91 -46.63 32.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.451 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 t -77.5 -11.66 59.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.861 0.362 . . . . 0.0 111.191 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 tp -98.82 129.98 45.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.6 p -73.13 140.28 46.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.679 ' HA ' HD12 ' A' ' 88' ' ' ILE . 2.3 p -38.25 -46.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.02 -57.21 14.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -44.94 -45.73 10.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 85' ' ' VAL . 49.2 mt -52.71 -36.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 90' ' ' GLN . 44.0 m-85 -76.34 -46.98 25.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 89' ' ' TYR . 36.0 mm-40 -33.85 -60.51 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.82 118.38 7.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -81.04 -51.04 8.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -47.08 -32.03 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.694 ' O ' HD12 ' A' ' 98' ' ' LEU . 8.3 tm0? -80.74 -32.97 35.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -68.48 -55.86 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.633 ' HB2' HG12 ' A' ' 119' ' ' ILE . . . -56.29 -20.06 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -71.62 -59.1 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 94' ' ' GLN . 5.5 mp -50.24 -18.47 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.85 -29.07 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.488 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 5.0 ptm180 -85.52 -39.8 17.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -69.02 -30.56 68.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.406 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 6.7 p -76.03 -35.49 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.589 ' HB2' ' ND1' ' A' ' 75' ' ' HIS . . . -84.16 -35.04 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.698 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -36.69 -56.81 1.3 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.616 0.722 . . . . 0.0 111.157 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.698 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.1 Cg_endo -69.77 -21.52 33.34 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.5 m-20 -77.68 -59.23 2.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.548 HG21 HG23 ' A' ' 114' ' ' ILE . 20.7 m -51.63 -31.32 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.59 -18.36 23.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -72.79 -53.52 11.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.604 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 3.7 ptt? -68.26 -33.69 74.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 118.44 28.67 2.09 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.537 ' HB ' ' HE3' ' A' ' 110' ' ' MET . 41.5 mm -114.3 141.09 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.753 0.311 . . . . 0.0 111.159 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -114.33 133.42 55.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 114' ' ' ILE . 2.3 pp -91.38 130.88 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 40' ' ' VAL . 2.4 mm? -83.91 -55.62 4.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.2 m -156.27 169.54 24.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.488 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -145.79 117.0 7.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.681 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.0 m -134.64 174.34 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.681 ' H ' HG22 ' A' ' 118' ' ' THR . 33.4 mm -113.38 135.53 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 40.6 tttm -91.08 -74.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -133.85 150.16 51.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.577 HG22 HG22 ' A' ' 34' ' ' VAL . 12.4 t -142.35 107.78 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -127.69 156.34 42.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' A' ' 124' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -91.15 159.99 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.796 0.332 . . . . 0.0 110.886 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -114.55 158.96 20.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.28 114.22 0.6 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -143.75 120.91 11.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.0 110.819 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -60.78 141.22 57.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.8 111.53 0.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.526 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -112.17 38.52 2.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -151.21 148.22 27.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.6 tp -56.93 146.38 6.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -109.99 84.79 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 13' ' ' GLU . 6.6 tt -53.84 -37.33 63.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 12' ' ' LEU . 8.7 mm-40 -34.46 150.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 40' ' ' VAL . 52.6 mt -51.96 131.45 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.7 mtm -100.92 134.53 43.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.9 m -100.9 103.51 14.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 69' ' ' LEU . 20.8 mt -109.77 128.68 55.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.412 ' CG ' HG22 ' A' ' 37' ' ' VAL . 3.0 mp0 -106.41 97.54 16.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.662 0.744 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.8 Cg_endo -69.68 91.57 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.403 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -111.17 149.58 30.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 t -141.32 145.81 35.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -130.03 142.39 50.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 70.38 51.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.785 HG21 HD13 ' A' ' 80' ' ' LEU . 31.6 m -116.75 88.8 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -52.24 122.41 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.589 HG21 ' CG2' ' A' ' 85' ' ' VAL . 79.1 p -64.15 -175.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.74 -55.02 12.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.501 ' HG3' HG23 ' A' ' 30' ' ' VAL . 17.5 pt-20 -59.41 -52.39 65.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.94 42.44 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' HG3' ' A' ' 28' ' ' GLU . 48.3 t -122.55 116.47 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.122 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.7 117.81 10.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.064 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.9 mm? -116.37 164.21 14.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 m -120.04 109.6 15.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.232 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.969 HG22 HG22 ' A' ' 122' ' ' VAL . 78.8 t -114.67 123.47 70.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.535 HG21 ' HD3' ' A' ' 120' ' ' LYS . 23.2 m -75.98 -53.75 7.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.162 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.05 148.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.457 HG23 ' HB2' ' A' ' 120' ' ' LYS . 17.8 t -151.33 121.83 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.78 156.3 45.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -114.59 140.77 48.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.429 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 5.2 p -135.32 163.1 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.638 ' HG2' HD21 ' A' ' 115' ' ' LEU . 22.1 pttt -154.28 153.54 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.445 HD13 ' CD1' ' A' ' 112' ' ' ILE . 5.5 mm -69.43 148.38 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.7 mtm -103.28 155.61 18.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.28 153.53 29.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.448 ' N ' HD23 ' A' ' 49' ' ' LEU . 15.2 mm-40 -137.3 108.18 6.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -51.67 -19.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.5 -72.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.4 tp -164.84 114.74 1.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.791 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -95.9 31.36 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.08 -11.38 38.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.94 -34.03 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.791 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . . . -109.74 -32.83 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.1 m -63.18 -57.82 9.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.13 -23.97 67.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -79.96 -16.51 55.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -113.09 -17.84 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.2 121.78 18.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.49 -38.38 3.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.468 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.576 ' HZ3' ' HB3' ' A' ' 63' ' ' ASP . 1.4 mtmp? -71.32 -177.02 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 61' ' ' VAL . 9.9 m-20 -109.9 142.11 41.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.946 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.475 HG23 ' H ' ' A' ' 62' ' ' GLN . 2.6 m -35.38 -52.2 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.475 ' H ' HG23 ' A' ' 61' ' ' VAL . 18.1 pt20 -49.04 -48.17 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.576 ' HB3' ' HZ3' ' A' ' 59' ' ' LYS . 36.4 m-20 -53.94 -52.65 59.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 64' ' ' ILE . 3.6 mp -52.44 -63.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -46.4 -36.75 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -65.03 -58.29 6.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.0 t -47.11 -55.93 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.418 HG11 HG11 ' A' ' 40' ' ' VAL . 61.3 t -60.24 -49.31 84.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.487 ' N ' HD13 ' A' ' 17' ' ' LEU . 16.7 tp -54.07 -40.17 66.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -57.08 -55.69 31.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.3 m -42.37 -57.08 2.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.487 HD23 ' CB ' ' A' ' 103' ' ' ALA . 91.3 mt -64.2 -52.11 60.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.12 -67.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.09 -56.16 2.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -47.78 -51.23 23.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.783 HD12 HG21 ' A' ' 99' ' ' VAL . 5.7 tp -42.07 -54.76 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.46 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 37.4 ttp180 -53.95 -51.85 62.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -53.46 -47.95 69.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.2 mm -69.43 -27.12 33.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.785 HD13 HG21 ' A' ' 24' ' ' VAL . 5.1 tt -77.9 -31.16 51.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.44 -46.36 70.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -71.63 -20.31 61.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.358 . . . . 0.0 111.122 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.6 mt -98.93 129.82 45.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.939 HG23 ' H ' ' A' ' 86' ' ' GLU . 6.5 t -70.4 -177.29 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.633 HG11 HD11 ' A' ' 129' ' ' LEU . 9.5 t -77.33 -15.49 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.939 ' H ' HG23 ' A' ' 84' ' ' THR . 2.0 mp0 -87.19 -66.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -39.62 -40.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.99 -73.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -48.98 -48.56 43.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -42.43 -61.91 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.89 81.82 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 62.2 mtm180 -66.82 -45.05 79.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -45.85 -39.39 8.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -71.49 -54.4 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -39.52 -51.74 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.06 95.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -56.22 -35.26 67.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.3 mt -71.03 -49.21 47.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.783 HG21 HD12 ' A' ' 76' ' ' LEU . 21.5 t -54.6 -36.87 37.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 5.3 ptm180 -83.72 -34.11 24.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.805 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -69.88 -29.6 66.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.6 p -87.92 -29.79 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.487 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -86.6 -30.62 21.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.791 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -47.57 -60.37 4.24 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.577 0.703 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.791 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.9 Cg_endo -69.67 -0.32 6.67 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.404 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.81 -53.62 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 112' ' ' ILE . 16.2 m -54.91 -24.47 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.97 -15.6 36.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.435 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -76.75 -37.18 56.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.819 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.42 ' CE ' HG12 ' A' ' 107' ' ' VAL . 0.4 OUTLIER -85.48 -29.84 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.59 32.11 2.19 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.495 ' O ' HG23 ' A' ' 107' ' ' VAL . 39.3 mm -127.58 138.75 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 0.0 111.137 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -116.29 141.43 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.974 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.425 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.4 pp -88.74 143.43 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.638 HD21 ' HG2' ' A' ' 41' ' ' LYS . 2.2 mm? -94.88 -54.12 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.6 t -155.96 162.31 40.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.789 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 100' ' ' ARG . 0.6 OUTLIER -140.8 126.16 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.689 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.1 m -138.94 173.64 11.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.689 ' H ' HG22 ' A' ' 118' ' ' THR . 9.8 mm -113.75 126.32 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.535 ' HD3' HG21 ' A' ' 35' ' ' THR . 35.0 tttm -79.81 -72.25 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -149.14 139.16 22.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.969 HG22 HG22 ' A' ' 34' ' ' VAL . 21.0 t -125.72 101.97 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -118.5 167.55 11.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.492 ' HB3' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -109.67 114.32 27.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -35.74 78.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 11.4 m -75.88 -6.18 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.17 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.8 t70 50.33 40.7 23.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.635 ' CZ ' HD11 ' A' ' 132' ' ' LEU . 54.0 t80 -73.18 -58.06 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.633 HD11 HG11 ' A' ' 85' ' ' VAL . 5.5 mp -56.89 -52.78 63.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 t -47.07 -50.91 18.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -53.4 -43.1 67.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.635 HD11 ' CZ ' ' A' ' 128' ' ' TYR . 18.2 mt -67.24 -34.41 77.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 43.22 85.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -64.65 118.46 8.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.357 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 2.5 p -142.56 147.99 36.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -65.96 123.28 19.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.1 p -120.07 173.11 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.0 t -119.97 148.24 43.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -149.95 146.29 15.32 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.88 159.96 51.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 35.0 p -147.09 139.39 24.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.92 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.9 m -69.77 -57.56 4.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -84.11 45.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.938 0.399 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m -98.62 97.52 8.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.91 124.28 6.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.537 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 m -119.88 98.79 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.941 0.401 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -57.64 110.69 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.75 159.41 8.32 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.527 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -119.98 34.12 5.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.33 150.27 37.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.1 tt -44.28 155.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.5 p -107.07 106.14 16.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 13' ' ' GLU . 4.4 tt -93.29 -40.58 10.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' LEU . 4.9 mp0 -35.96 153.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 40' ' ' VAL . 80.0 mt -55.57 138.61 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.186 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 71.9 mtm -111.95 138.32 48.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.7 m -106.05 104.45 14.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 mt -113.42 128.36 56.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.474 HE22 HG13 ' A' ' 37' ' ' VAL . 3.3 mm-40 -102.0 100.5 15.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.708 . . . . 0.0 110.922 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 54.1 Cg_endo -69.71 80.53 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.381 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.9 ttp85 -95.17 141.59 28.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.403 ' HB2' HD23 ' A' ' 76' ' ' LEU . 52.8 m -142.59 119.06 10.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.68 ' HB3' HG23 ' A' ' 33' ' ' THR . 19.8 pt-20 -115.49 157.37 24.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.526 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 6.2 t0 65.32 47.27 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 24' ' ' VAL . 24.6 m -114.71 102.7 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.27 118.58 6.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.688 HG21 HG23 ' A' ' 85' ' ' VAL . 17.4 p -65.93 -175.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.452 ' HB3' HG22 ' A' ' 84' ' ' THR . . . -51.63 -50.06 61.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.482 ' HG2' HG23 ' A' ' 30' ' ' VAL . 10.6 pm0 -68.69 -26.24 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.86 51.79 0.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.482 HG23 ' HG2' ' A' ' 28' ' ' GLU . 17.0 t -130.65 115.49 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 111.15 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 23' ' ' ASP . . . -66.13 119.74 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' O ' HG22 ' A' ' 24' ' ' VAL . 4.1 mm? -122.11 165.74 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.68 HG23 ' HB3' ' A' ' 22' ' ' GLU . 2.0 m -124.54 121.49 34.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.735 HG13 HG12 ' A' ' 122' ' ' VAL . 75.6 t -126.03 108.13 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.547 HG21 ' HD3' ' A' ' 120' ' ' LYS . 42.0 m -55.61 -58.46 7.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.97 147.63 0.33 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.474 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.474 HG13 HE22 ' A' ' 18' ' ' GLN . 54.4 t -152.11 114.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 111.129 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.74 129.44 32.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.463 ' HG2' HD12 ' A' ' 115' ' ' LEU . 12.3 tt0 -84.36 131.29 34.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 41' ' ' LYS . 8.6 p -128.28 162.5 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.513 ' N ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -155.39 152.43 29.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.65 HD13 ' CD1' ' A' ' 112' ' ' ILE . 7.7 mm -73.92 129.43 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.9 mtm -67.82 163.42 21.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.24 156.15 17.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 9.2 pt-20 -74.62 93.84 2.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -88.05 -48.62 7.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -166.63 114.35 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 61.8 51.87 3.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.74 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -69.99 -2.17 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.49 -26.86 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p -54.42 -31.81 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 110' ' ' MET . . . -107.49 -39.8 5.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -38.51 -67.42 0.21 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -65.42 -22.18 66.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -36.34 83.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.526 ' CE1' HG23 ' A' ' 64' ' ' ILE . 26.6 m-85 -105.36 -50.7 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 56' ' ' PHE . 15.2 mt -33.97 134.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.91 -40.29 2.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -70.27 177.84 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.557 ' O ' HD12 ' A' ' 64' ' ' ILE . 39.0 m-20 -105.04 146.46 29.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -42.59 -32.99 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -71.68 -37.51 70.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 60' ' ' ASN . 1.7 m-20 -61.26 -51.45 68.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.641 ' H ' HD12 ' A' ' 64' ' ' ILE . 5.2 mp -54.45 -64.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -41.25 -38.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -70.34 -55.97 7.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.0 t -46.65 -58.18 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.5 t -55.99 -51.85 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 tp -50.8 -40.32 55.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.07 -50.47 73.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 83.6 m -46.17 -46.51 17.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -76.48 -35.09 58.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' GLY . 33.3 mt-10 -64.4 -69.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -37.78 -52.46 1.97 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 78' ' ' SER . 30.6 m-70 -56.91 -52.09 66.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.672 HD12 HG21 ' A' ' 99' ' ' VAL . 3.4 tp -36.6 -50.57 0.81 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.569 ' HG2' HG11 ' A' ' 24' ' ' VAL . 10.3 mtp-105 -60.19 -43.66 95.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' HIS . 12.7 t -59.64 -50.83 72.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.515 HG21 ' HB2' ' A' ' 98' ' ' LEU . 17.3 mm -67.83 -24.89 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.602 HD13 HG21 ' A' ' 24' ' ' VAL . 6.2 tt -78.24 -35.48 48.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.03 -51.06 60.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -69.02 -19.17 64.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 111.096 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.712 HD22 ' CD1' ' A' ' 95' ' ' PHE . 8.8 tp -89.56 161.96 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.452 HG22 ' HB3' ' A' ' 27' ' ' ALA . 71.4 p -114.09 141.04 47.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.688 HG23 HG21 ' A' ' 26' ' ' THR . 36.7 t -36.79 -63.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 85' ' ' VAL . 20.6 mt-10 -37.12 -51.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -58.82 -58.22 9.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.668 HG12 HD23 ' A' ' 83' ' ' LEU . 80.1 mt -42.71 -43.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.487 ' CZ ' HG23 ' A' ' 122' ' ' VAL . 21.6 m-85 -74.05 -61.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' TYR . 4.8 mt-30 -33.99 -62.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.09 99.88 4.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -77.53 -35.97 52.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -53.28 -49.53 66.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -59.76 -40.2 87.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.712 ' CD1' HD22 ' A' ' 83' ' ' LEU . 21.9 t80 -53.82 -61.5 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.524 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -47.85 -47.01 31.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 14.6 ttmt -44.97 -35.24 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.515 ' HB2' HG21 ' A' ' 79' ' ' ILE . 30.8 mt -76.37 -38.56 55.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.672 HG21 HD12 ' A' ' 76' ' ' LEU . 46.7 t -67.54 -42.03 86.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.479 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 28.5 ptt180 -76.79 -30.01 56.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 97' ' ' LYS . 3.9 mm-40 -70.14 -32.41 70.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 p -83.19 -31.17 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -81.9 -41.09 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.764 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.95 -60.09 0.49 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.764 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.8 Cg_endo -69.78 -22.31 32.16 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 103' ' ' ALA . 3.9 t70 -75.46 -60.96 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.599 HG12 ' CE ' ' A' ' 110' ' ' MET . 6.6 m -48.84 -36.22 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.18 -24.76 1.6 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -63.47 -56.34 16.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.79 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.706 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 4.1 ptt? -67.51 -33.06 74.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.477 ' HA3' ' HB2' ' A' ' 52' ' ' ALA . . . 115.83 34.24 1.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.414 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.65 ' CD1' HD13 ' A' ' 42' ' ' ILE . 43.8 mm -118.78 146.91 22.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.82 0.343 . . . . 0.0 111.117 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -122.16 133.7 54.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 114' ' ' ILE . 2.5 pp -83.92 134.93 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.463 HD12 ' HG2' ' A' ' 39' ' ' GLN . 62.5 mt -94.61 -52.45 4.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.9 p -153.93 147.52 25.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.787 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.524 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -134.07 112.56 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.673 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.4 m -131.12 173.7 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.673 ' H ' HG22 ' A' ' 118' ' ' THR . 26.1 mm -110.48 127.35 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.547 ' HD3' HG21 ' A' ' 35' ' ' THR . 25.4 tttp -78.07 -59.3 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -170.19 141.78 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.735 HG12 HG13 ' A' ' 34' ' ' VAL . 11.2 m -118.19 128.06 75.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -137.05 172.77 12.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.36 115.34 30.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -67.86 -38.44 83.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.5 m -83.07 13.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 43.47 42.99 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.686 ' CE2' HD11 ' A' ' 132' ' ' LEU . 48.5 t80 -56.76 -72.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.591 ' HA ' HD12 ' A' ' 132' ' ' LEU . 5.2 mp -40.42 -55.53 2.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.95 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.3 t -47.79 -45.95 30.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.9 t -60.16 -46.23 90.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.686 HD11 ' CE2' ' A' ' 128' ' ' TYR . 37.1 mt -53.89 -34.52 59.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 142.57 109.1 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.424 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -60.16 152.04 25.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 88.3 m -116.41 123.73 48.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -119.0 118.49 31.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.8 p -87.96 115.29 25.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 35.4 t -76.47 91.23 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 160.88 174.86 31.25 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 154.16 68.1 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.679 2.253 . . . . 0.0 112.307 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 60.3 m -91.6 42.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.4 m -71.25 -61.18 1.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.9 p -89.55 95.33 10.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.389 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 p -124.91 157.26 36.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.89 177.34 21.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -91.92 145.65 24.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m -41.87 124.68 2.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.21 57.43 0.38 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -113.32 27.58 9.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.705 0.288 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -57.63 156.58 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 9' ' ' ARG . 15.8 tt -36.36 153.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.6 t -164.88 117.07 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.52 119.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -152.71 155.34 37.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -96.28 142.85 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.566 ' HG3' HG13 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -130.73 135.72 48.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.474 ' C ' HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -91.81 113.15 25.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 16' ' ' THR . 11.0 mp -121.86 125.26 46.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.511 ' HG2' HG22 ' A' ' 37' ' ' VAL . 18.4 mp0 -106.87 96.91 15.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 54.0 Cg_endo -69.75 101.61 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.346 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 35' ' ' THR . 50.7 mtt180 -101.58 163.73 12.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -144.24 120.71 11.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.82 154.02 45.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.4 25.73 14.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 24' ' ' VAL . 20.2 m -100.24 103.39 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -64.74 123.62 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.606 HG21 ' CG2' ' A' ' 85' ' ' VAL . 20.8 p -63.51 -178.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.71 ' HB3' HG22 ' A' ' 84' ' ' THR . . . -48.21 -55.16 11.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 11.4 pt-20 -61.12 -50.93 71.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 139.57 54.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.439 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.58 HG12 ' CD2' ' A' ' 32' ' ' LEU . 93.3 t -135.59 117.23 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 111.132 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.04 116.13 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.58 ' CD2' HG12 ' A' ' 30' ' ' VAL . 3.9 mm? -115.62 154.87 28.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.759 HG21 ' CZ ' ' A' ' 123' ' ' TYR . 17.5 m -114.53 118.27 33.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.3 t -126.81 112.08 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 32.6 m -64.59 -63.95 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.25 152.15 1.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.733 HG23 ' HB2' ' A' ' 120' ' ' LYS . 16.0 t -145.43 129.86 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 111.095 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.36 154.49 42.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -109.76 122.48 47.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.566 HG13 ' HG3' ' A' ' 15' ' ' MET . 7.8 p -123.83 158.02 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' N ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -159.37 154.06 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.786 HD13 ' CD1' ' A' ' 112' ' ' ILE . 17.7 mm -66.44 134.59 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.471 ' CG ' ' HB2' ' A' ' 113' ' ' GLU . 9.4 mtt -67.77 167.96 12.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.97 163.21 12.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.483 ' HA ' HD23 ' A' ' 49' ' ' LEU . 13.6 pt-20 -112.16 116.75 30.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -93.5 -52.45 4.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -122.77 -59.0 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.4 mt -134.19 129.55 35.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -127.22 33.76 4.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.71 -1.66 14.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.552 HG13 ' N ' ' A' ' 52' ' ' ALA . 11.5 p -80.78 -47.8 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.855 ' HB2' ' HA3' ' A' ' 111' ' ' GLY . . . -94.64 -20.57 19.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.8 m -63.57 -63.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -69.22 -22.57 63.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -70.05 -31.44 69.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' LEU . 23.7 m-85 -105.53 -54.83 2.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' PHE . 60.6 mt -36.98 139.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.94 -25.25 24.7 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.495 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -100.0 176.16 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -97.71 152.17 19.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 m -50.84 -21.12 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -72.23 -40.89 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.955 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.4 m-20 -61.39 -37.99 85.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.2 mp -63.3 -64.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -38.44 -49.27 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -60.52 -57.1 14.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 63' ' ' ASP . 45.9 t -46.64 -58.89 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.17 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.542 HG13 ' HE3' ' A' ' 110' ' ' MET . 45.4 t -55.05 -47.15 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.3 tp -58.23 -37.95 75.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -60.67 -45.06 95.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.546 HG21 HG13 ' A' ' 107' ' ' VAL . 75.5 m -55.27 -57.57 11.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.35 -43.0 98.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 76' ' ' LEU . 12.7 mt-10 -62.39 -69.85 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.83 -48.43 0.71 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 71' ' ' THR . 43.0 m-70 -61.33 -44.41 97.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.967 HD12 HG21 ' A' ' 99' ' ' VAL . 13.9 tp -52.73 -38.8 61.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -67.19 -45.6 76.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 t -63.83 -48.8 75.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.5 mm -59.23 -37.55 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.69 ' HG ' HD11 ' A' ' 88' ' ' ILE . 7.7 tt -72.77 -32.04 65.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -61.23 -48.74 84.01 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 t -72.96 -16.05 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.766 0.317 . . . . 0.0 111.133 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.68 HD22 ' HB3' ' A' ' 87' ' ' GLN . 12.3 mt -102.03 139.53 37.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.71 HG22 ' HB3' ' A' ' 27' ' ' ALA . 57.5 p -84.88 154.17 22.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.606 ' CG2' HG21 ' A' ' 26' ' ' THR . 17.0 t -40.53 -56.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -51.64 -58.12 7.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.68 ' HB3' HD22 ' A' ' 83' ' ' LEU . 16.0 mt-30 -43.29 -39.34 3.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.69 HD11 ' HG ' ' A' ' 80' ' ' LEU . 54.8 mt -65.95 -67.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.484 ' HE1' HG13 ' A' ' 122' ' ' VAL . 36.6 m-85 -49.09 -53.08 22.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' TYR . 7.9 mm-40 -37.61 -63.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -126.06 105.95 9.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.618 ' HD3' HG21 ' A' ' 119' ' ' ILE . 48.2 mtt180 -76.82 -43.81 35.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -53.79 -46.98 71.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -58.02 -66.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.511 ' O ' HG23 ' A' ' 99' ' ' VAL . 19.5 t80 -41.0 -52.41 3.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.511 ' HB1' ' HD1' ' A' ' 117' ' ' PHE . . . -55.87 -44.15 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -57.56 -47.17 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.79 -13.71 4.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.967 HG21 HD12 ' A' ' 76' ' ' LEU . 21.2 t -95.11 -37.7 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.482 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 13.2 ptt180 -76.9 -39.27 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.89 -33.72 74.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.0 p -78.4 -29.29 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.35 -32.7 19.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.744 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -42.51 -59.19 3.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.744 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.1 Cg_endo -69.72 -8.82 24.58 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.727 2.285 . . . . 0.0 112.345 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.22 -61.29 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.628 HG12 ' CE ' ' A' ' 110' ' ' MET . 11.3 m -47.51 -37.63 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -45.14 -28.38 1.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.532 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -61.51 -57.2 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.628 ' CE ' HG12 ' A' ' 107' ' ' VAL . 5.2 ptt? -65.02 -33.05 75.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.855 ' HA3' ' HB2' ' A' ' 52' ' ' ALA . . . 116.09 29.62 2.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.786 ' CD1' HD13 ' A' ' 42' ' ' ILE . 29.3 mm -116.98 138.59 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 111.118 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.471 ' HB2' ' CG ' ' A' ' 43' ' ' MET . 3.5 tp10 -113.96 128.95 56.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.427 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.3 pp -80.49 145.99 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 77.5 mt -102.15 -52.37 3.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.8 p -156.6 161.73 39.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.511 ' HD1' ' HB1' ' A' ' 96' ' ' ALA . 2.7 t80 -143.61 126.53 16.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.643 HG22 ' H ' ' A' ' 119' ' ' ILE . 4.7 m -146.29 171.1 15.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.643 ' H ' HG22 ' A' ' 118' ' ' THR . 46.6 mm -98.33 140.45 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.733 ' HB2' HG23 ' A' ' 37' ' ' VAL . 21.9 tptp -99.87 -69.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.89 143.73 26.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.484 HG13 ' HE1' ' A' ' 89' ' ' TYR . 2.9 p -134.14 129.17 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.759 ' CZ ' HG21 ' A' ' 33' ' ' THR . 2.5 p90 -136.86 170.94 15.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.94 119.23 34.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -58.69 -32.51 69.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.0 m -88.63 -22.91 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.154 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.4 t70 58.6 44.29 17.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -72.83 -57.64 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.6 ' H ' HD12 ' A' ' 129' ' ' LEU . 3.3 mp -63.67 -42.32 98.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.9 m -58.4 -17.88 23.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.0 m -100.47 31.35 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 37.6 mt -104.63 -35.46 7.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 159.25 -58.46 0.33 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.44 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -55.19 145.03 22.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.381 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 19.1 p -139.7 175.24 9.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -50.56 147.16 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.5 t -85.98 -27.61 24.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.9 t -147.05 167.96 22.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -137.96 171.98 23.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 141' ' ' SER . 54.0 Cg_endo -69.74 -4.48 14.11 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.39 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 140' ' ' PRO . 43.9 m -36.97 -52.85 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.9 m -124.35 165.56 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.3 p 44.0 42.06 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -79.84 152.58 29.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.26 85.88 0.32 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -42.26 -50.95 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m -114.34 100.98 8.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.01 75.35 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -86.07 -14.04 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.4 159.01 22.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 tt -53.48 146.84 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.5 t -103.67 141.01 36.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 pp -121.47 -37.03 2.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -39.66 146.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 40' ' ' VAL . 31.1 mt -53.72 129.45 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.712 ' O ' HG12 ' A' ' 40' ' ' VAL . 45.4 mtm -101.96 121.2 41.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.8 m -85.29 102.6 13.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.482 ' CD1' HG11 ' A' ' 40' ' ' VAL . 37.9 mt -109.97 126.96 54.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.407 ' HG2' HG22 ' A' ' 37' ' ' VAL . 37.3 mt-30 -101.99 97.68 8.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.691 0.758 . . . . 0.0 110.939 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 79.98 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.693 2.262 . . . . 0.0 112.321 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -95.37 141.24 29.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.455 ' HB3' HD23 ' A' ' 76' ' ' LEU . 13.8 p -129.52 124.12 33.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -124.17 143.45 50.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.408 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 7.7 m-20 66.43 49.77 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.834 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 24' ' ' VAL . 35.6 m -119.22 88.71 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -53.76 126.46 22.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 30' ' ' VAL . 18.0 p -72.32 -175.08 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.83 -55.19 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.498 ' HG3' HG23 ' A' ' 30' ' ' VAL . 7.8 pt-20 -63.32 -40.43 97.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.46 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 124.38 46.51 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.732 HG12 ' CD2' ' A' ' 32' ' ' LEU . 86.1 t -122.04 100.26 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB1' ' HA ' ' A' ' 23' ' ' ASP . . . -57.3 115.93 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.732 ' CD2' HG12 ' A' ' 30' ' ' VAL . 4.1 mm? -116.23 161.16 19.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.91 108.44 13.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.647 HG13 HG12 ' A' ' 122' ' ' VAL . 94.1 t -112.35 113.51 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.9 m -61.04 -55.77 28.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.74 145.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 120' ' ' LYS . 24.6 t -148.39 122.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 111.167 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.51 138.8 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.425 ' CG ' HG21 ' A' ' 14' ' ' ILE . 10.8 tt0 -93.42 136.97 33.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.712 HG12 ' O ' ' A' ' 15' ' ' MET . 8.4 p -133.91 161.22 41.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.621 ' HG2' HD21 ' A' ' 115' ' ' LEU . 35.3 pttt -151.35 152.35 33.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.626 HD13 ' CD1' ' A' ' 112' ' ' ILE . 37.5 mm -78.35 121.84 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.2 mtt -52.55 146.72 9.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.15 159.69 20.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.127 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.454 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . 7.4 pt-20 -108.85 104.94 14.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -83.06 -43.44 16.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -132.81 -61.75 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.5 mt -135.79 109.07 7.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.65 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -121.56 32.28 5.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.54 -22.15 66.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 52' ' ' ALA . 6.7 p -57.93 -42.03 81.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.735 ' HB2' ' HA3' ' A' ' 111' ' ' GLY . . . -100.79 -38.24 8.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.8 m -57.28 -57.17 13.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.09 -31.44 72.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.08 -42.09 93.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -84.78 -33.26 23.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 57' ' ' LEU . 12.8 mt -45.95 -39.55 9.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.59 -37.07 94.13 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.443 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -104.74 171.22 7.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.871 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.683 ' O ' HD12 ' A' ' 64' ' ' ILE . 66.5 m-80 -88.63 162.38 16.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.744 ' HA ' HD13 ' A' ' 64' ' ' ILE . 27.6 m -44.93 -45.58 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.501 ' N ' HG23 ' A' ' 61' ' ' VAL . 25.7 mt-30 -53.04 -52.1 59.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 59' ' ' LYS . 1.0 OUTLIER -45.89 -61.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.744 HD13 ' HA ' ' A' ' 61' ' ' VAL . 5.2 mp -35.59 -67.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 64' ' ' ILE . 36.4 mttt -34.96 -49.46 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -68.32 -55.09 13.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.4 t -44.09 -61.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.435 HG22 HG13 ' A' ' 112' ' ' ILE . 43.2 t -50.89 -50.37 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 tp -56.14 -40.22 73.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -59.26 -37.45 77.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 94.3 m -58.44 -57.07 14.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.1 mt -65.05 -48.05 75.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -49.88 -64.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.34 -59.21 2.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -48.26 -45.76 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.86 0.362 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.994 HD12 HG21 ' A' ' 99' ' ' VAL . 10.2 tp -51.67 -37.98 52.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.407 ' HG2' HG11 ' A' ' 24' ' ' VAL . 30.6 mtt180 -68.52 -36.97 79.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 t -69.29 -55.0 11.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.565 ' O ' HG22 ' A' ' 82' ' ' THR . 22.6 mm -56.71 -47.02 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.19 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.409 ' CD2' HG22 ' A' ' 26' ' ' THR . 4.2 tt -58.32 -44.73 88.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.967 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.75 -55.61 11.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 79' ' ' ILE . 10.0 t -63.24 -24.62 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.328 . . . . 0.0 111.166 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -91.35 124.24 35.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.1 p -65.35 153.89 39.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.656 ' HA ' HD12 ' A' ' 88' ' ' ILE . 6.2 p -52.56 -43.77 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.424 ' N ' HG13 ' A' ' 85' ' ' VAL . 21.0 mp0 -56.71 -59.83 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -44.4 -56.05 4.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 85' ' ' VAL . 48.0 mt -40.91 -58.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -57.93 -57.87 10.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -44.65 -61.84 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.32 90.5 3.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -88.64 -29.68 19.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.3 -44.86 68.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -69.07 -42.53 76.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -48.46 -40.92 27.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.1 -45.37 88.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -53.87 -43.34 69.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.59 -37.06 75.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.994 HG21 HD12 ' A' ' 76' ' ' LEU . 41.8 t -66.01 -61.93 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.472 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 4.9 ptm180 -58.61 -26.97 64.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -73.43 -39.73 64.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 99' ' ' VAL . 10.3 p -80.57 -23.43 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -90.63 -39.17 12.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.804 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -37.89 -60.72 0.9 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.804 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.1 Cg_endo -69.74 -16.15 37.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.305 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 103' ' ' ALA . 12.3 t70 -80.29 -60.48 2.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.405 HG21 HG23 ' A' ' 114' ' ' ILE . 8.9 m -44.87 -37.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.61 -34.07 9.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.5 ptt85 -55.26 -43.65 74.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -83.8 -31.96 25.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.735 ' HA3' ' HB2' ' A' ' 52' ' ' ALA . . . 115.23 25.07 3.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.626 ' CD1' HD13 ' A' ' 42' ' ' ILE . 14.8 mm -107.46 132.28 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.068 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -107.27 132.38 53.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 114' ' ' ILE . 2.2 pp -92.09 137.2 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.621 HD21 ' HG2' ' A' ' 41' ' ' LYS . 2.8 mm? -87.27 -55.2 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 m -158.48 172.57 18.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.472 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -147.57 131.17 16.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.678 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.5 m -149.7 173.36 13.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.678 ' H ' HG22 ' A' ' 118' ' ' THR . 49.8 mm -107.69 134.09 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.458 ' HB2' HG23 ' A' ' 37' ' ' VAL . 25.0 tptt -90.89 -62.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -163.44 134.91 4.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.647 HG12 HG13 ' A' ' 34' ' ' VAL . 4.5 m -122.12 133.52 68.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -136.83 172.8 12.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.91 114.59 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -68.21 -41.68 80.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 29.7 m -76.09 -17.48 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.6 t70 54.95 43.75 29.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -77.18 -67.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.675 HD12 ' N ' ' A' ' 130' ' ' SER . 3.6 pp -63.49 -42.69 98.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.675 ' N ' HD12 ' A' ' 129' ' ' LEU . 39.3 t -58.26 -38.55 77.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.0 t -57.89 -53.63 56.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 50.9 mt -52.84 -33.05 47.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 54.32 91.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.464 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -91.7 61.25 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 52.6 p -123.35 120.7 33.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.155 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -159.69 156.1 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 138' ' ' SER . 12.8 t -109.24 42.61 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 137' ' ' THR . 26.6 m -35.16 130.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -154.02 -172.59 22.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -34.09 15.25 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.7 m -89.89 159.89 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 72.5 m -134.08 146.22 50.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -38.13 151.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 110.83 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -98.1 81.08 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.62 98.58 0.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -102.46 163.63 12.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -88.35 -44.9 10.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.56 139.54 33.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.531 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -99.49 41.57 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.349 . . . . 0.0 110.956 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -99.69 159.85 14.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.7 tt -55.72 152.3 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 t -95.17 143.44 26.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 mt -120.12 -44.84 2.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.447 ' HG2' ' N ' ' A' ' 14' ' ' ILE . 28.9 tt0 -47.86 154.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.447 ' N ' ' HG2' ' A' ' 13' ' ' GLU . 58.7 mt -71.5 141.6 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.182 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -112.09 140.39 46.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.2 m -97.66 101.2 12.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.534 HD12 HG11 ' A' ' 40' ' ' VAL . 65.4 mt -110.96 117.43 33.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -104.9 97.53 13.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.933 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 53.5 Cg_endo -69.82 102.14 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -108.54 154.24 22.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.0 m -141.44 124.97 16.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.6 ' HG2' HG23 ' A' ' 33' ' ' THR . 61.0 mt-10 -119.96 158.27 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.5 p-10 46.61 52.04 11.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 24' ' ' VAL . 13.3 m -117.82 90.68 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.423 ' HA ' ' C ' ' A' ' 30' ' ' VAL . 47.1 mt-10 -53.51 126.46 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.681 HG23 HD23 ' A' ' 32' ' ' LEU . 41.2 p -71.37 -175.86 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -45.22 -57.15 4.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -62.57 -30.92 71.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.38 40.15 0.75 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.516 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.434 ' O ' HD23 ' A' ' 32' ' ' LEU . 88.9 t -116.07 115.6 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.7 121.36 13.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.681 HD23 HG23 ' A' ' 26' ' ' THR . 4.1 mm? -118.24 159.32 23.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.647 HG21 ' CE2' ' A' ' 123' ' ' TYR . 57.3 m -126.54 105.76 8.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.7 t -116.42 109.25 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 m -55.58 -52.95 62.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.42 137.19 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.6 t -145.62 121.69 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.58 155.05 45.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.059 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.782 ' HG2' HD12 ' A' ' 115' ' ' LEU . 10.9 tt0 -112.34 133.04 54.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.534 HG11 HD12 ' A' ' 17' ' ' LEU . 8.6 p -129.34 161.49 38.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.503 ' N ' HG22 ' A' ' 40' ' ' VAL . 23.4 pttt -153.88 143.05 21.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.511 HD11 HG21 ' A' ' 64' ' ' ILE . 3.4 mm -64.55 125.11 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.4 mtt -51.77 -179.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.94 158.82 17.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.469 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . 10.8 pt-20 -106.19 116.39 31.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -94.89 -40.57 9.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.823 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.605 ' C ' HD12 ' A' ' 48' ' ' LEU . 11.4 pt-20 -132.46 -49.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.605 HD12 ' C ' ' A' ' 47' ' ' GLU . 5.4 mp -151.39 123.4 8.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.642 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -117.72 21.25 13.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.37 -14.17 25.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.415 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.3 p -66.08 -39.64 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.608 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -108.03 -32.97 7.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.89 -25.6 67.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -80.8 -33.31 34.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.484 ' HG3' ' CD1' ' A' ' 56' ' ' PHE . 8.9 pt20 -81.18 -3.74 53.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.608 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 21.3 m-85 -111.28 -42.88 3.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.6 mt -48.03 149.78 1.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.03 -33.93 2.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' HE3' ' CG ' ' A' ' 63' ' ' ASP . 6.3 mtpp -94.33 171.49 8.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.328 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.578 ' OD1' HG22 ' A' ' 61' ' ' VAL . 2.9 t-20 -98.75 177.33 5.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.578 HG22 ' OD1' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -60.58 -27.79 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.468 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 43.0 mt-30 -61.83 -34.36 75.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.738 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.0 m-20 -69.25 -47.54 64.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.511 HG21 HD11 ' A' ' 42' ' ' ILE . 4.2 mp -60.79 -53.12 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -53.26 -38.09 62.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 62' ' ' GLN . 40.2 m-20 -71.46 -64.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 63' ' ' ASP . 58.5 t -39.36 -58.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.516 HG11 HG21 ' A' ' 40' ' ' VAL . 57.0 t -54.48 -47.52 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 tp -56.34 -45.79 80.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -50.55 -52.37 39.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 57.9 m -44.42 -60.22 2.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.8 mt -63.82 -58.62 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -37.4 -61.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.46 -50.4 30.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -54.98 -38.66 68.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.975 HD12 HG21 ' A' ' 99' ' ' VAL . 7.3 tp -59.46 -47.03 87.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.7 ttp-105 -60.1 -49.85 76.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 t -58.52 -56.2 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.0 mm -55.44 -29.38 23.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.552 HD23 HG22 ' A' ' 26' ' ' THR . 2.5 tt -75.48 -47.04 28.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -54.01 -56.24 21.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 83' ' ' LEU . 9.0 t -55.57 -40.43 71.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.419 ' N ' HG23 ' A' ' 82' ' ' THR . 13.5 mt -75.95 158.7 31.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' VAL . 18.7 p -97.68 138.74 34.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.652 HG13 ' OE1' ' A' ' 86' ' ' GLU . 2.5 p -37.67 -36.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.652 ' OE1' HG13 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -63.24 -49.24 74.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -61.59 -36.6 81.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.6 mt -62.68 -49.45 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.437 ' O ' ' C ' ' A' ' 90' ' ' GLN . 11.6 m-85 -69.52 -45.07 69.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 89' ' ' TYR . 23.7 mm-40 -35.12 -62.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.89 106.84 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -68.03 -43.02 79.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -50.53 -54.1 25.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -60.08 -46.85 88.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -48.29 -58.76 4.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.479 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -55.64 -41.04 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -48.33 -35.23 11.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.401 ' O ' HG12 ' A' ' 102' ' ' VAL . 7.4 mp -72.84 -33.89 66.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.975 HG21 HD12 ' A' ' 76' ' ' LEU . 45.3 t -69.76 -47.07 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.487 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 25.9 ptt180 -71.7 -21.69 61.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.426 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 17.3 mt-10 -79.35 -39.79 31.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.402 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 11.0 p -79.25 -20.55 12.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.46 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -93.02 -36.74 12.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.743 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -42.75 -58.44 3.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 52.5 Cg_endo -69.79 -12.38 32.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.271 . . . . 0.0 112.306 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 102' ' ' VAL . 1.1 m-20 -86.19 -62.01 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.599 HG12 ' CE ' ' A' ' 110' ' ' MET . 4.1 m -43.79 -41.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.78 -34.39 1.86 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.545 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -52.69 -53.76 43.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.599 ' CE ' HG12 ' A' ' 107' ' ' VAL . 5.8 ptt? -71.47 -37.01 71.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.95 34.07 1.01 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.474 ' CD1' HD13 ' A' ' 42' ' ' ILE . 47.9 mm -118.74 140.44 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 111.061 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -115.36 126.16 54.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.413 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.4 pp -78.15 142.72 13.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.782 HD12 ' HG2' ' A' ' 39' ' ' GLN . 46.8 mt -94.01 -48.64 6.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.4 t -167.44 163.95 14.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.487 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.8 OUTLIER -142.14 122.28 13.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.932 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.7 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.6 m -136.01 175.67 9.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.7 ' H ' HG22 ' A' ' 118' ' ' THR . 49.0 mm -118.55 122.75 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -74.33 -61.4 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -156.44 143.8 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 p -129.77 121.94 53.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.647 ' CE2' HG21 ' A' ' 33' ' ' THR . 3.2 p90 -137.07 165.08 26.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.18 115.01 29.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -54.78 -41.4 70.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 17.6 m -80.35 -6.93 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 38.06 42.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -69.07 -43.43 74.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.3 mp -77.01 -25.35 52.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.7 m -76.67 -25.73 54.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -99.03 31.03 3.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 41.3 mt -79.86 -33.91 39.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 106.99 45.85 1.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.462 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -122.0 122.65 39.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.4 m -140.87 133.91 29.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -109.47 94.42 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 33.6 p -142.67 169.56 17.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.8 t -144.72 128.33 17.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.804 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.37 174.93 39.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 104.51 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.362 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 72.8 p -72.29 142.05 48.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.5 m -57.12 135.96 56.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.565 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -62.99 119.95 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 110.794 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -115.59 129.08 56.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.4 128.55 1.65 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -46.1 162.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.3 p -163.39 118.71 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.91 -118.99 1.24 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -100.01 -13.99 18.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 0.0 110.927 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -80.43 145.11 32.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.4 tp -94.62 143.05 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 t -84.56 130.71 34.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' GLU . 34.3 mt -113.02 -43.3 3.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 12' ' ' LEU . 7.9 tp10 -34.68 150.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.41 ' N ' ' HG3' ' A' ' 13' ' ' GLU . 69.5 mt -62.19 122.44 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.172 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.488 ' CG ' HG13 ' A' ' 40' ' ' VAL . 3.1 ptt? -99.36 129.87 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.2 m -93.66 112.95 24.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.408 ' CD1' HG11 ' A' ' 40' ' ' VAL . 13.7 mt -114.2 123.21 49.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.616 ' HG2' HG22 ' A' ' 37' ' ' VAL . 56.0 mt-30 -102.61 97.57 9.31 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.729 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' O ' HD22 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.72 87.21 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.617 2.211 . . . . 0.0 112.346 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -101.69 142.87 32.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.2 m -133.4 121.33 22.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.48 141.83 48.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t0 71.35 52.21 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 24' ' ' VAL . 17.1 m -124.09 94.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.431 ' HA ' ' C ' ' A' ' 30' ' ' VAL . 29.6 mt-10 -56.15 121.03 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.533 HG21 HG23 ' A' ' 85' ' ' VAL . 71.4 p -60.67 -176.55 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -47.02 -57.68 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.563 ' HG3' HG23 ' A' ' 30' ' ' VAL . 7.4 pt-20 -59.54 -53.69 55.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 143.32 51.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.596 ' O ' HD23 ' A' ' 32' ' ' LEU . 23.6 t -129.67 107.84 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 111.11 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.96 111.85 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 30' ' ' VAL . 4.0 mm? -111.06 165.72 11.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.81 115.64 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.779 HG22 HG22 ' A' ' 122' ' ' VAL . 75.4 t -123.92 125.17 70.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.5 m -75.32 -61.71 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.23 136.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.616 HG22 ' HG2' ' A' ' 18' ' ' GLN . 5.5 t -135.5 128.32 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 116' ' ' SER . . . -148.26 152.67 37.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.072 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -109.24 145.21 36.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.591 ' HA ' HD23 ' A' ' 115' ' ' LEU . 9.9 p -146.82 159.69 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.169 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.934 ' HG2' HD21 ' A' ' 115' ' ' LEU . 12.7 pttt -156.95 151.15 25.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.472 HG13 ' CD1' ' A' ' 112' ' ' ILE . 1.3 mp -73.92 119.09 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.07 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 31.6 mtm -59.76 158.65 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.913 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.98 163.93 22.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.706 ' HA ' HD23 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -74.23 93.43 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -87.94 -55.9 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -154.35 112.19 3.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.7 mt 57.66 53.3 7.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.716 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -60.88 -14.76 24.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.916 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.72 -33.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.522 HG13 ' N ' ' A' ' 52' ' ' ALA . 7.3 p -48.06 -47.81 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 110' ' ' MET . . . -102.98 -28.19 12.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.79 -66.89 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -65.85 -33.9 76.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -57.02 -35.19 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.618 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 20.1 m-85 -94.65 -51.35 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' PHE . 35.5 mt -37.26 -52.94 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -49.07 -39.71 27.05 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 56' ' ' PHE . 7.7 mtpp -100.19 178.38 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.445 ' O ' HD12 ' A' ' 64' ' ' ILE . 69.6 m-20 -84.08 177.15 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.822 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.575 ' HA ' HD13 ' A' ' 64' ' ' ILE . 23.8 m -70.11 -39.35 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -51.99 -47.83 64.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 64' ' ' ILE . 2.2 m-20 -49.27 -59.21 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.575 HD13 ' HA ' ' A' ' 61' ' ' VAL . 2.9 mp -35.75 -67.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -38.75 -51.73 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' VAL . 23.5 m-80 -63.15 -62.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' ASN . 73.6 t -37.11 -50.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.8 t -66.16 -59.89 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 tp -45.62 -33.19 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -64.8 -40.46 95.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 19.7 m -58.26 -53.65 55.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.9 mt -67.1 -40.82 87.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -61.04 -44.54 97.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.24 -43.36 99.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -65.51 -43.66 89.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.922 HD12 HG21 ' A' ' 99' ' ' VAL . 4.5 tp -50.6 -51.95 43.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.488 ' HG2' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -54.22 -48.24 71.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.64 ' O ' HG22 ' A' ' 82' ' ' THR . 7.5 t -58.28 -57.98 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.542 HG21 ' HB2' ' A' ' 98' ' ' LEU . 42.7 mm -55.24 -30.46 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.125 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.415 HD13 HG21 ' A' ' 24' ' ' VAL . 4.6 tt -73.84 -57.85 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -47.72 -61.28 4.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 78' ' ' SER . 4.8 t -53.07 -18.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 0.0 111.081 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 79' ' ' ILE . 12.9 mt -97.81 163.76 12.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 85' ' ' VAL . 64.9 p -106.5 140.08 39.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.559 ' HA ' HD12 ' A' ' 88' ' ' ILE . 16.7 t -33.94 -52.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -51.08 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -38.3 -49.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 85' ' ' VAL . 58.2 mt -51.79 -52.93 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 90' ' ' GLN . 18.6 m-85 -62.74 -56.88 13.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 89' ' ' TYR . 5.6 mm-40 -35.75 -60.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.23 101.72 7.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -76.72 -56.64 4.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -47.83 -43.35 27.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -60.12 -47.1 87.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -48.87 -58.97 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.499 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -56.08 -40.32 73.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 32.5 ttmt -53.11 -33.74 53.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.542 ' HB2' HG21 ' A' ' 79' ' ' ILE . 28.1 mt -72.44 -45.54 59.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.922 HG21 HD12 ' A' ' 76' ' ' LEU . 21.2 t -61.6 -42.69 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.428 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 7.6 ptm180 -72.62 -27.2 62.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 97' ' ' LYS . 4.8 mm-40 -75.15 -36.53 61.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.3 p -82.37 -24.88 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.6 -30.55 18.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.79 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -47.57 -60.19 4.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.681 0.753 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.3 Cg_endo -69.74 -2.47 10.21 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.653 2.235 . . . . 0.0 112.398 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.47 -54.87 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.531 HG12 ' HE3' ' A' ' 110' ' ' MET . 19.1 m -55.56 -31.22 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.84 -23.35 37.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -65.76 -50.76 63.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.767 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 2.1 ptt? -70.82 -35.01 72.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 123.68 19.32 2.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.472 ' CD1' HG13 ' A' ' 42' ' ' ILE . 18.0 mm -113.03 142.93 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 111.159 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -118.97 134.76 54.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 114' ' ' ILE . 2.3 pp -81.92 134.91 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.934 HD21 ' HG2' ' A' ' 41' ' ' LYS . 4.0 mm? -85.94 -53.4 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.435 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 2.3 m -161.19 167.89 25.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.499 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.4 OUTLIER -146.04 125.43 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.664 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.8 m -139.68 173.56 11.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.664 ' H ' HG22 ' A' ' 118' ' ' THR . 19.9 mm -113.23 115.52 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -77.21 -72.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.76 148.81 52.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.779 HG22 HG22 ' A' ' 34' ' ' VAL . 29.3 t -142.74 105.04 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.478 ' N ' ' CD1' ' A' ' 123' ' ' TYR . 1.0 OUTLIER -127.25 170.47 12.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.479 ' OD2' ' N ' ' A' ' 128' ' ' TYR . 31.7 p-10 -111.79 120.86 43.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -61.39 -31.99 71.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 127' ' ' ASP . 33.0 m -83.75 7.9 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 126' ' ' VAL . 7.7 m-20 35.3 39.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.479 ' N ' ' OD2' ' A' ' 124' ' ' ASP . 1.2 t80 -55.94 -53.89 51.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.552 ' H ' HD12 ' A' ' 129' ' ' LEU . 5.6 mp -56.98 -45.17 83.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.9 t -62.82 -22.0 66.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.6 t -93.71 33.73 1.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 78.4 mt -106.33 -30.11 9.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.79 -67.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -72.46 143.39 48.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 16.9 p -111.23 64.87 0.61 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -125.77 156.05 40.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.3 t -112.83 145.49 40.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 90.0 p -169.32 115.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -141.66 85.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.538 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 137.15 34.99 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.737 2.291 . . . . 0.0 112.33 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 91.4 p -162.29 132.41 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.6 t -61.54 104.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.463 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -87.36 -44.27 11.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.879 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 t -153.57 136.37 15.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.29 -128.46 4.06 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.544 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -128.95 160.51 32.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 110.817 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -97.2 135.97 38.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.72 -166.77 10.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -132.57 42.92 3.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.974 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -164.12 135.72 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 tp -59.27 148.15 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.176 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.522 ' O ' ' N ' ' A' ' 13' ' ' GLU . 11.2 t -134.7 56.9 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' SER . 0.6 OUTLIER 34.63 31.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 11' ' ' SER . 12.1 pt-20 -68.24 160.2 29.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.4 mt -99.72 139.25 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.414 ' O ' HG12 ' A' ' 40' ' ' VAL . 22.3 mtm -120.69 138.91 53.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.585 HG23 HE22 ' A' ' 39' ' ' GLN . 33.4 m -103.9 105.56 15.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -115.13 131.63 56.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.419 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -117.73 97.39 50.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.521 0.677 . . . . 0.0 110.914 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.4 Cg_endo -69.76 112.9 3.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.639 2.226 . . . . 0.0 112.367 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -112.87 144.41 42.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -135.45 116.23 14.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.554 ' CB ' HG23 ' A' ' 33' ' ' THR . 12.0 pt-20 -122.17 152.2 40.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 60.69 47.01 8.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 24' ' ' VAL . 18.6 m -116.68 91.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -51.27 113.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 30' ' ' VAL . 25.8 p -62.71 -178.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.15 -54.39 31.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.745 ' CD ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -59.16 -32.82 70.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 115.41 51.03 0.44 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 26' ' ' THR . 93.2 t -137.14 120.55 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.476 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -69.55 124.47 24.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 31' ' ' ALA . 2.7 mm? -121.2 165.79 14.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.554 HG23 ' CB ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -131.21 110.59 11.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.508 HG22 HG23 ' A' ' 122' ' ' VAL . 80.3 t -121.09 111.19 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.6 m -57.31 -53.9 52.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.03 138.31 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.458 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.6 t -145.91 128.17 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.8 149.34 36.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.585 HE22 HG23 ' A' ' 16' ' ' THR . 8.1 tp-100 -105.31 124.42 49.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 15' ' ' MET . 4.2 p -121.16 162.16 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.02 149.96 20.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.613 HD13 ' CD1' ' A' ' 112' ' ' ILE . 35.3 mm -67.01 139.39 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.476 ' HE1' ' HB2' ' A' ' 113' ' ' GLU . 8.4 mtm -80.07 139.72 36.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.509 HG22 ' H ' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -48.77 170.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' H ' HG22 ' A' ' 44' ' ' THR . 0.6 OUTLIER -99.25 31.09 3.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.97 -38.45 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 49' ' ' LEU . 73.5 mm-40 -131.15 179.21 6.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -36.88 92.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.676 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -87.66 19.4 3.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.22 2.68 6.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p -86.28 -32.82 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.33 -34.16 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.167 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -46.15 -68.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.43 -10.8 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -83.6 -22.18 32.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.618 ' HZ ' HD11 ' A' ' 112' ' ' ILE . 19.0 m-85 -117.63 -51.71 2.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.2 mt -38.74 131.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.29 -48.52 1.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -74.96 -175.63 2.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 63' ' ' ASP . 64.4 m-80 -110.63 150.43 29.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.452 HG23 ' H ' ' A' ' 62' ' ' GLN . 3.4 m -38.85 -51.46 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.452 ' H ' HG23 ' A' ' 61' ' ' VAL . 5.3 pt20 -47.81 -40.63 21.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 60' ' ' ASN . 14.0 t0 -59.13 -66.82 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.801 ' H ' HD12 ' A' ' 64' ' ' ILE . 5.0 mp -41.55 -58.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -45.1 -41.85 8.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -64.34 -56.69 12.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.5 t -47.14 -61.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.545 HG22 HG13 ' A' ' 112' ' ' ILE . 59.5 t -58.76 -48.71 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.75 -39.67 58.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -58.42 -54.36 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.0 m -42.46 -54.03 4.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD23 ' CB ' ' A' ' 103' ' ' ALA . 68.4 mt -66.09 -54.86 20.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -46.65 -66.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -36.91 -54.5 1.46 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.425 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -53.24 -52.55 58.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.662 HD12 HG21 ' A' ' 99' ' ' VAL . 20.7 tp -39.37 -53.78 1.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.419 ' HG2' HG11 ' A' ' 24' ' ' VAL . 3.7 tmm_? -61.01 -41.23 96.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.8 m -62.01 -58.82 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.416 HG21 ' HB2' ' A' ' 98' ' ' LEU . 34.4 mm -57.01 -25.14 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.605 ' CD2' HG22 ' A' ' 26' ' ' THR . 4.1 tt -80.49 -39.22 28.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.76 -49.0 73.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 t -68.33 -23.76 64.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.798 0.332 . . . . 0.0 111.174 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -93.47 160.7 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -95.99 166.13 11.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.421 ' HA ' HD12 ' A' ' 88' ' ' ILE . 1.5 p -64.75 -42.8 95.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -61.36 -38.17 85.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -64.56 -50.34 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.435 HD11 ' HG ' ' A' ' 80' ' ' LEU . 36.0 mt -50.17 -39.3 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' GLN . 14.3 m-85 -76.15 -48.23 21.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' TYR . 4.6 mm100 -35.3 -62.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -144.6 107.23 4.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -75.54 -41.71 54.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -46.76 -42.54 17.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.429 ' NE2' HD21 ' A' ' 98' ' ' LEU . 16.7 tm0? -68.81 -43.79 74.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -52.39 -63.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -45.54 -46.56 14.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -47.65 -40.96 21.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.429 HD21 ' NE2' ' A' ' 94' ' ' GLN . 16.8 mt -70.73 -39.56 73.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.662 HG21 HD12 ' A' ' 76' ' ' LEU . 61.3 t -64.16 -37.21 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.529 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 11.3 ptm180 -80.68 -24.34 38.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 8.8 mt-10 -76.08 -40.32 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.88 -25.08 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.461 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -94.41 -39.57 10.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.764 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.4 -60.24 0.43 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 111.069 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.764 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.7 Cg_endo -69.74 -28.33 25.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.317 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 103' ' ' ALA . 27.4 t0 -64.78 -54.94 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.475 ' HA ' ' CE ' ' A' ' 110' ' ' MET . 19.7 m -59.66 -38.47 75.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -45.22 -31.66 3.24 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.441 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 109' ' ' ARG . 17.0 mtp-105 -65.21 -46.73 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 107' ' ' VAL . 3.4 mpp? -71.18 -36.49 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 122.73 12.04 5.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.618 HD11 ' HZ ' ' A' ' 56' ' ' PHE . 44.4 mm -105.42 136.9 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.773 0.321 . . . . 0.0 111.107 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.476 ' HB2' ' HE1' ' A' ' 43' ' ' MET . 0.0 OUTLIER -112.25 146.59 37.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.506 HD12 ' O ' ' A' ' 114' ' ' ILE . 2.0 pp -99.95 135.59 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.2 mt -91.14 -54.6 3.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 35.1 m -157.19 160.9 39.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -139.09 119.39 13.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.657 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.4 m -125.49 173.73 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.657 ' H ' HG22 ' A' ' 118' ' ' THR . 37.3 mm -119.26 103.85 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 31.0 tttm -54.68 -71.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -144.22 159.56 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.508 HG23 HG22 ' A' ' 34' ' ' VAL . 2.4 p -145.34 117.65 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.182 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -133.16 161.72 33.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.53 118.19 35.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -59.88 -33.77 72.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.423 HG23 ' H ' ' A' ' 128' ' ' TYR . 33.9 m -86.52 -7.65 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.177 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 126' ' ' VAL . 1.2 m-20 37.41 42.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.423 ' H ' HG23 ' A' ' 126' ' ' VAL . 1.3 t80 -61.71 -60.98 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.982 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.519 ' H ' HD12 ' A' ' 129' ' ' LEU . 5.6 mp -51.96 -29.05 18.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.3 t -82.79 -37.53 24.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.6 t -91.17 33.49 0.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 22.1 mt -71.0 -34.29 71.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 146.94 -50.24 0.6 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.529 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -128.92 107.31 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 41.5 p -143.79 136.6 27.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -172.19 122.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.2 p -49.3 124.52 9.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 57.7 p -153.4 167.82 28.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -117.12 86.73 0.42 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -43.12 2.8 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.295 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 13.4 t -87.5 122.67 31.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.3 t -60.27 -53.18 60.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -146.09 145.85 30.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.831 0.348 . . . . 0.0 110.858 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -164.18 173.05 12.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.46 145.46 4.14 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 p -169.57 142.48 2.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.2 m -101.07 105.46 16.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.69 111.27 1.0 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -85.15 49.88 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -122.74 137.65 54.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.9 tt -70.16 152.01 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -149.12 131.05 15.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tp -78.93 94.68 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -143.92 158.05 43.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.1 mt -77.07 122.02 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.417 ' CE ' HG21 ' A' ' 68' ' ' VAL . 1.1 ptt? -106.63 137.33 44.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.428 ' OG1' ' NE2' ' A' ' 39' ' ' GLN . 32.0 m -96.68 114.67 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.553 HD21 ' HB ' ' A' ' 68' ' ' VAL . 6.0 mp -110.65 129.34 55.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HG2' HG22 ' A' ' 37' ' ' VAL . 29.2 mt-30 -103.43 97.61 10.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.707 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 54.0 Cg_endo -69.75 80.52 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.624 2.216 . . . . 0.0 112.373 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' CB ' ' HA ' ' A' ' 35' ' ' THR . 39.1 ptt180 -102.35 147.18 27.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 t -143.63 141.41 30.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.64 147.94 51.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 73.29 38.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 24' ' ' VAL . 27.3 m -111.24 95.82 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -52.1 130.43 30.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.756 HG21 ' CG2' ' A' ' 85' ' ' VAL . 3.2 p -74.14 -178.88 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.26 -57.83 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -62.01 -30.77 71.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.95 55.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.489 ' O ' HD23 ' A' ' 32' ' ' LEU . 4.7 t -136.47 111.48 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.8 113.87 4.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 30' ' ' VAL . 4.1 mm? -116.57 165.18 13.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 m -122.6 108.93 13.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.619 HG22 HG12 ' A' ' 122' ' ' VAL . 84.8 t -112.96 121.79 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.413 ' HA ' ' CB ' ' A' ' 20' ' ' ARG . 4.5 m -72.39 -61.94 1.62 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.69 144.43 0.4 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.712 HG23 ' HB2' ' A' ' 120' ' ' LYS . 41.6 t -144.4 114.78 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 0.0 111.067 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.97 141.96 42.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.083 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.428 ' NE2' ' OG1' ' A' ' 16' ' ' THR . 5.9 tp60 -94.07 148.05 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.686 HG11 HG11 ' A' ' 68' ' ' VAL . 2.3 p -145.11 160.07 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.174 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.531 ' HG2' HD21 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -158.54 158.3 33.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.975 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.791 HD13 HD12 ' A' ' 112' ' ' ILE . 28.7 mm -84.12 149.13 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.472 ' SD ' ' N ' ' A' ' 113' ' ' GLU . 2.1 mpp? -90.11 -176.35 4.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.82 -173.16 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -110.5 32.02 5.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HE3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -46.66 -35.99 6.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.412 ' C ' ' HG ' ' A' ' 48' ' ' LEU . 4.0 tp10 -118.91 -66.3 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.412 ' HG ' ' C ' ' A' ' 47' ' ' GLU . 14.6 mt -151.4 133.67 15.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.772 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -125.25 5.47 7.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.11 -3.82 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 p -84.38 -38.09 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.41 -5.76 23.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.38 -34.54 72.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -90.55 -27.07 19.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -66.94 -26.48 66.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.574 ' HZ ' HD11 ' A' ' 112' ' ' ILE . 9.8 m-30 -101.09 -59.39 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.9 mt -45.87 152.29 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.36 -32.58 3.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -105.11 179.11 4.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -94.51 167.47 11.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.4 m -54.56 -30.54 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -63.28 -41.7 99.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.87 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -54.7 -48.93 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.478 ' H ' HD12 ' A' ' 64' ' ' ILE . 2.9 mp -52.28 -70.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -39.73 -48.19 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -60.54 -37.5 81.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 63' ' ' ASP . 65.0 t -64.64 -57.68 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.686 HG11 HG11 ' A' ' 40' ' ' VAL . 74.4 t -59.08 -35.37 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.7 tp -71.11 -38.41 72.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.981 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -57.58 -37.88 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 m -64.04 -53.97 41.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 99.1 mt -67.75 -58.41 4.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -45.55 -44.85 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.6 -60.36 9.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -47.71 -43.13 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.808 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.94 HD12 HG21 ' A' ' 99' ' ' VAL . 10.0 tp -45.55 -56.24 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -56.6 -43.93 80.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -55.59 -48.63 74.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.8 mm -70.28 -58.68 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.493 HD13 HG21 ' A' ' 24' ' ' VAL . 2.1 tt -39.86 -37.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.76 -58.71 9.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -76.31 1.14 16.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 111.174 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.691 HD12 ' CG1' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -101.43 118.41 36.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' VAL . 45.1 p -72.78 136.17 45.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.756 ' CG2' HG21 ' A' ' 26' ' ' THR . 18.3 t -37.73 -61.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -39.11 -63.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.403 ' HB2' ' CD1' ' A' ' 83' ' ' LEU . 78.9 mt-30 -46.53 -51.36 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.691 ' CG1' HD12 ' A' ' 83' ' ' LEU . 17.5 mt -48.63 -54.0 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -62.22 -54.29 43.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -39.56 -65.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.41 109.98 13.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -81.27 -46.67 14.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -48.66 -54.92 12.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -51.11 -49.53 60.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -45.78 -64.34 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -49.11 -54.45 16.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' ALA . 16.6 ttmm -35.48 -40.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.49 ' O ' HG12 ' A' ' 102' ' ' VAL . 7.7 mt -71.41 -47.34 56.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.94 HG21 HD12 ' A' ' 76' ' ' LEU . 46.4 t -58.34 -33.49 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.482 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 26.7 ptt180 -85.07 -29.39 24.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -71.87 -35.07 69.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 98' ' ' LEU . 7.1 p -81.65 -31.04 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -85.45 -35.64 21.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.766 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -36.26 -60.33 0.72 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 111.097 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.766 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.9 Cg_endo -69.75 -18.44 37.05 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' ALA . 5.6 t70 -77.41 -56.2 4.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.528 HG21 HG23 ' A' ' 114' ' ' ILE . 8.8 m -50.17 -42.14 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.92 -30.62 5.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.433 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -56.77 -56.44 21.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.482 ' CE ' HG12 ' A' ' 107' ' ' VAL . 10.0 ptt? -68.46 -33.38 74.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 120.77 28.1 1.79 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.791 HD12 HD13 ' A' ' 42' ' ' ILE . 29.7 mm -118.39 142.76 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.726 0.298 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.472 ' N ' ' SD ' ' A' ' 43' ' ' MET . 14.5 tt0 -118.61 127.98 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 114' ' ' ILE . 2.4 pp -77.57 130.96 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.531 HD21 ' HG2' ' A' ' 41' ' ' LYS . 67.5 mt -86.77 -57.23 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.9 m -153.33 149.25 27.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.491 ' CZ ' ' HG3' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -130.97 119.97 22.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.822 -179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.642 HG22 ' H ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER -133.23 175.96 8.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.642 ' H ' HG22 ' A' ' 118' ' ' THR . 15.2 mm -111.6 134.44 53.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.712 ' HB2' HG23 ' A' ' 37' ' ' VAL . 3.3 tppp? -88.09 -73.44 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -159.03 136.36 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.619 HG12 HG22 ' A' ' 34' ' ' VAL . 26.0 m -114.91 125.98 72.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -137.1 166.83 22.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 20.3 p-10 -104.74 111.72 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.79 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -68.75 -22.85 64.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.9 m -93.47 6.58 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 47.36 52.39 12.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -74.6 -60.61 2.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.731 HD12 ' N ' ' A' ' 130' ' ' SER . 3.6 pp -70.8 -43.93 67.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.731 ' N ' HD12 ' A' ' 129' ' ' LEU . 9.5 t -51.69 -43.94 62.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.5 t -58.36 -43.85 88.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 129' ' ' LEU . 18.1 mt -53.98 -33.48 57.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 55.32 80.09 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.517 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -105.76 132.92 51.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -146.92 145.59 29.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -59.45 -23.73 62.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.05 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.6 m 50.62 54.82 10.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 88.1 p -165.28 111.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 167.51 86.03 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 173.34 11.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 57.8 p -133.58 173.88 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.6 t -125.29 -51.81 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 p -173.53 133.38 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 m -79.07 174.24 11.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.04 39.33 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -126.67 139.38 53.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.899 0.38 . . . . 0.0 110.889 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -66.38 109.04 2.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.71 152.75 7.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.57 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.88 15.06 22.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.959 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -94.4 136.2 34.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 tt -67.06 158.97 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.4 p -138.32 140.23 39.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tp -68.78 112.14 5.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -170.99 148.01 2.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.959 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.56 144.8 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.522 ' HG3' HG13 ' A' ' 40' ' ' VAL . 3.9 ptt? -131.18 134.16 46.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.9 m -86.79 105.18 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -98.89 121.02 40.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.512 ' HG2' HG22 ' A' ' 37' ' ' VAL . 70.2 mt-30 -104.0 97.44 11.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 54.3 Cg_endo -69.71 80.24 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.392 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -98.62 150.29 21.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.1 p -139.66 145.86 38.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 9.0 mm-40 -130.46 156.96 43.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.6 p-10 46.85 54.06 9.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 24' ' ' VAL . 32.6 m -116.72 84.89 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -42.18 135.49 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.631 HG21 HG23 ' A' ' 85' ' ' VAL . 1.4 p -74.27 -175.83 2.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.095 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.76 ' HB2' ' O ' ' A' ' 81' ' ' GLY . . . -58.15 -36.83 73.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.402 ' HG3' HG23 ' A' ' 30' ' ' VAL . 19.8 pt-20 -80.64 -47.66 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.7 49.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.422 ' O ' HD23 ' A' ' 32' ' ' LEU . 31.7 t -137.07 113.17 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.581 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -65.99 129.64 40.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 31' ' ' ALA . 4.0 mm? -126.5 163.42 23.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.7 m -119.48 102.57 8.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.941 HG22 HG12 ' A' ' 122' ' ' VAL . 71.9 t -108.14 111.22 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 m -64.61 -61.37 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.25 148.97 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.475 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.69 HG23 ' HB2' ' A' ' 120' ' ' LYS . 14.0 t -145.93 124.17 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 111.112 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.6 135.68 28.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.033 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -95.83 126.63 41.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.522 HG13 ' HG3' ' A' ' 15' ' ' MET . 8.1 p -127.06 162.68 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.513 ' N ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -155.31 155.1 33.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.4 mm -67.37 135.31 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.2 mtm -77.11 -177.81 4.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -118.47 -30.06 5.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.124 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 47' ' ' GLU . 6.9 mm-40 47.79 53.99 10.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 45' ' ' GLU . 42.9 mttt -33.74 -34.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 45' ' ' GLU . 20.6 tt0 -68.44 -52.28 34.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' GLU . 3.6 tp -170.44 107.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.871 ' O ' HD13 ' A' ' 49' ' ' LEU . 2.3 tm? -85.95 -17.36 35.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.42 -29.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 52' ' ' ALA . 2.7 p -51.2 -52.03 20.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.511 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -75.84 -43.62 44.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.425 ' SG ' HD12 ' A' ' 49' ' ' LEU . 62.9 m -49.0 -54.31 16.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.6 20.02 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -124.96 -24.08 4.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.527 ' HB3' HD11 ' A' ' 64' ' ' ILE . 23.3 m-85 -112.07 -28.85 7.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.5 mt -50.61 -36.46 35.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.59 -21.91 73.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.473 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -117.46 165.24 13.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -80.62 177.81 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.86 -35.74 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -58.82 -50.61 73.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 67' ' ' VAL . 11.2 m-20 -45.46 -60.06 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.527 HD11 ' HB3' ' A' ' 56' ' ' PHE . 2.5 mp -36.76 -66.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 64' ' ' ILE . 12.8 mptt -36.21 -53.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -63.36 -42.88 98.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 63' ' ' ASP . 60.4 t -58.69 -59.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 112' ' ' ILE . 89.2 t -53.72 -30.86 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 47.6 tp -72.34 -43.31 64.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -53.11 -36.21 60.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.682 HG21 ' CG1' ' A' ' 107' ' ' VAL . 99.3 m -62.68 -59.84 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 103' ' ' ALA . 23.1 mt -66.85 -57.24 7.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -45.44 -50.43 12.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.51 -66.08 3.09 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -44.43 -47.09 9.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.798 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.004 HD12 HG21 ' A' ' 99' ' ' VAL . 12.4 tp -39.44 -55.79 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 77' ' ' ARG . 8.1 mtp-105 -48.82 -68.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 t -40.78 -42.78 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.6 mm -70.29 -36.8 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 80' ' ' LEU . 6.7 tt -69.74 -35.82 75.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.76 ' O ' ' HB2' ' A' ' 27' ' ' ALA . . . -60.35 -53.62 44.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.438 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 t -60.5 -20.34 59.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.342 . . . . 0.0 111.154 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.408 HD12 ' CD1' ' A' ' 95' ' ' PHE . 21.1 mt -99.92 145.81 27.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' VAL . 69.8 p -94.99 150.14 20.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.687 ' HA ' HD12 ' A' ' 88' ' ' ILE . 24.8 t -34.73 -65.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' GLN . 26.8 mt-10 -41.35 -69.01 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' GLU . 63.2 mt-30 -37.47 -53.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 85' ' ' VAL . 27.4 mt -47.95 -49.14 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.061 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 90' ' ' GLN . 38.6 m-85 -68.57 -50.64 50.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' TYR . 3.7 mm-40 -34.8 -64.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -130.7 117.9 20.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.574 ' HD2' HG21 ' A' ' 119' ' ' ILE . 10.0 mmt85 -79.92 -62.72 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.8 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -34.9 -56.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -49.34 -61.18 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CD1' HD12 ' A' ' 83' ' ' LEU . 10.8 t80 -40.92 -58.88 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.959 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.578 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -56.78 -50.48 72.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.405 ' O ' ' OE2' ' A' ' 101' ' ' GLU . 22.4 ttmt -40.92 -39.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.99 -41.24 74.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.004 HG21 HD12 ' A' ' 76' ' ' LEU . 42.3 t -62.72 -42.59 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 12.9 ptm180 -75.64 -36.27 60.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -63.98 -31.13 72.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 99' ' ' VAL . 12.2 p -87.84 -25.85 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.906 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -90.22 -21.8 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.759 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -55.45 -59.27 11.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.569 0.699 . . . . 0.0 111.083 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.759 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.6 Cg_endo -69.77 -15.0 36.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.588 2.192 . . . . 0.0 112.378 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.76 -63.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 103' ' ' ALA . 4.4 m -45.5 -35.24 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.87 -33.97 14.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 -55.82 -54.76 40.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.737 0.303 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.692 ' CE ' HG12 ' A' ' 107' ' ' VAL . 1.3 ptt? -66.52 -36.04 81.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 120.96 26.73 2.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.523 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.556 HG13 HG22 ' A' ' 68' ' ' VAL . 38.2 mm -115.76 140.1 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.798 0.333 . . . . 0.0 111.153 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -118.58 131.16 56.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 114' ' ' ILE . 2.5 pp -82.68 137.59 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.0 mt -95.87 -51.29 4.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.1 t -154.7 153.07 30.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.578 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -137.23 117.45 13.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.837 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.674 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.8 m -132.17 173.93 10.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.674 ' H ' HG22 ' A' ' 118' ' ' THR . 49.5 mm -109.61 122.16 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.115 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.69 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -73.8 -66.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -164.91 140.0 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.941 HG12 HG22 ' A' ' 34' ' ' VAL . 31.2 m -119.39 124.0 72.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -137.16 171.04 15.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.419 ' CG ' HG22 ' A' ' 126' ' ' VAL . 16.7 t0 -110.88 133.25 53.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.852 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -80.44 -17.8 50.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.419 HG22 ' CG ' ' A' ' 124' ' ' ASP . 14.0 m -94.2 1.62 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 44.45 54.28 6.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -84.4 -47.99 10.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.1 mt -69.57 -45.24 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.1 m -48.74 -47.36 41.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.6 m -49.29 -45.43 45.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 38.4 mt -54.86 -33.36 61.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 118.21 67.74 0.34 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -118.0 41.48 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 55.5 m -155.05 119.16 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 137' ' ' THR . 31.5 tt0 -56.36 -48.05 77.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 136' ' ' GLN . 39.2 m -37.2 125.46 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 51.2 p -160.17 137.7 9.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 124.17 -177.02 16.85 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 171.16 14.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 2.221 . . . . 0.0 112.406 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.5 t -47.24 -53.05 14.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 70.4 p -65.8 148.43 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.473 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -82.75 82.21 8.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -76.75 146.84 37.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.04 -115.08 2.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.0 p -133.02 128.54 36.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -153.52 172.93 16.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.39 -148.75 24.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -118.11 41.3 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -132.84 -175.0 3.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.9 tt -74.18 148.46 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.3 m -96.71 122.8 40.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 13' ' ' GLU . 35.8 mt -98.35 -45.82 6.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' LEU . 4.5 pm0 -37.1 150.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.471 ' CG2' ' HG3' ' A' ' 39' ' ' GLN . 11.5 mt -64.05 129.18 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.436 ' O ' HG12 ' A' ' 40' ' ' VAL . 2.5 mpp? -101.63 126.44 48.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.9 m -85.68 104.96 15.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.067 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.404 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 52.6 mt -112.05 113.27 25.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -100.6 99.28 9.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.551 0.691 . . . . 0.0 110.951 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.8 Cg_endo -69.75 95.64 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.527 ' HE ' HG23 ' A' ' 35' ' ' THR . 10.0 ttm180 -107.41 138.48 43.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.507 ' SG ' HG11 ' A' ' 24' ' ' VAL . 1.3 t -129.22 144.93 51.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -129.78 142.02 50.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.92 53.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 24' ' ' VAL . 29.9 m -118.88 100.21 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -60.76 132.2 53.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.572 HG21 ' HB ' ' A' ' 85' ' ' VAL . 48.4 p -76.03 172.23 13.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.19 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.476 ' CA ' ' O ' ' A' ' 81' ' ' GLY . . . -34.52 -63.47 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.071 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HG3' HG23 ' A' ' 30' ' ' VAL . 7.3 pt-20 -56.16 -52.12 65.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 141.83 44.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.522 HG12 HD22 ' A' ' 32' ' ' LEU . 88.3 t -120.63 116.88 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 111.078 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.13 118.34 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD22 HG12 ' A' ' 30' ' ' VAL . 3.1 mm? -118.87 160.78 21.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.795 HG21 ' CZ ' ' A' ' 123' ' ' TYR . 21.4 m -119.76 101.73 8.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.811 HG22 HG12 ' A' ' 122' ' ' VAL . 58.3 t -108.31 122.74 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.527 HG23 ' HE ' ' A' ' 20' ' ' ARG . 89.6 m -72.87 -48.09 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.7 146.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 6.0 t -151.36 124.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.26 160.43 40.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.471 ' HG3' ' CG2' ' A' ' 14' ' ' ILE . 5.5 tp60 -114.46 147.63 39.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 15' ' ' MET . 8.9 p -146.67 159.31 10.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 40' ' ' VAL . 32.0 pttt -149.51 155.25 40.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.73 HD13 HD12 ' A' ' 112' ' ' ILE . 37.3 mm -79.82 117.28 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.6 mtt -46.08 172.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.807 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.95 162.58 15.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -95.18 110.54 22.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -116.52 -37.58 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -130.39 -55.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.7 mt -148.81 115.94 6.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.546 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -119.64 15.28 12.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.88 -4.41 6.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 p -83.21 -38.28 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.02 16.3 21.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.526 ' O ' HD12 ' A' ' 57' ' ' LEU . 12.0 m -94.26 -12.69 27.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.86 -16.17 7.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.703 ' NE2' ' CZ ' ' A' ' 56' ' ' PHE . 7.3 pt20 -66.73 -13.14 61.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.703 ' CZ ' ' NE2' ' A' ' 55' ' ' GLN . 22.5 m-85 -119.53 -44.05 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 53' ' ' CYS . 20.1 mt -37.44 139.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.08 -40.29 3.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -73.58 -175.93 2.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.743 0.306 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -109.23 145.44 35.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -44.13 -30.9 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -73.6 -39.59 64.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.23 -48.29 80.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.571 HG13 ' CD1' ' A' ' 56' ' ' PHE . 3.3 mp -49.02 -69.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' ILE . 2.9 mptt -34.79 -44.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -63.22 -45.27 92.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' ILE . 88.0 t -55.95 -55.8 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.1 -48.21 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 tp -56.82 -34.96 68.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -61.51 -50.13 73.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.3 m -48.14 -48.49 34.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.555 HD23 ' CB ' ' A' ' 103' ' ' ALA . 70.2 mt -71.68 -37.97 70.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 74' ' ' GLY . 16.3 mt-10 -63.84 -67.15 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -35.74 -50.33 1.07 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.445 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' LEU . 52.3 m-70 -63.05 -45.79 90.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.359 . . . . 0.0 110.827 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.603 HD12 HG21 ' A' ' 99' ' ' VAL . 6.5 tp -36.84 -65.19 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -50.42 -52.62 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 m -51.08 -35.97 37.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.1 mm -79.32 -38.75 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.512 ' CD2' HG22 ' A' ' 26' ' ' THR . 1.9 tt -66.46 -32.27 73.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.476 ' O ' ' CA ' ' A' ' 27' ' ' ALA . . . -66.68 -57.09 10.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.543 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 t -56.74 -30.9 64.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.792 0.33 . . . . 0.0 111.082 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.456 HD11 ' HG ' ' A' ' 98' ' ' LEU . 12.1 mt -92.74 138.35 31.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 76.0 p -73.54 153.32 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.947 ' HA ' HD12 ' A' ' 88' ' ' ILE . 1.0 OUTLIER -53.54 -48.64 58.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.59 -54.11 37.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -47.9 -45.34 30.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.947 HD12 ' HA ' ' A' ' 85' ' ' VAL . 19.1 mt -52.6 -53.55 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' GLN . 38.8 m-85 -61.9 -56.29 20.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' TYR . 6.6 mm-40 -35.48 -64.19 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -127.78 83.58 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -53.25 -43.85 67.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -51.04 -41.24 59.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.495 ' O ' HD23 ' A' ' 98' ' ' LEU . 7.4 tp-100 -55.02 -69.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -40.26 -48.26 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.579 ' HB1' ' HD1' ' A' ' 117' ' ' PHE . . . -53.79 -40.82 66.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -69.82 -43.41 72.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 94' ' ' GLN . 3.5 mm? -47.21 -37.51 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.643 ' O ' HG12 ' A' ' 102' ' ' VAL . 2.1 t -76.32 -65.13 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 13.1 ptt180 -48.3 -23.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -74.91 -37.22 62.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 99' ' ' VAL . 10.2 p -85.4 -26.23 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.12 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.555 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -84.56 -46.39 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.793 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.68 -60.62 0.43 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.496 0.665 . . . . 0.0 111.066 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.0 Cg_endo -69.78 -22.22 32.29 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.73 2.287 . . . . 0.0 112.372 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 103' ' ' ALA . 5.5 t0 -74.41 -59.56 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.627 HG21 HG23 ' A' ' 114' ' ' ILE . 24.0 m -54.55 -21.49 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.53 -40.94 99.27 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.593 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.7 mtt-85 -58.8 -39.94 82.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.3 mtm -72.69 -43.75 62.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.11 24.36 1.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.73 HD12 HD13 ' A' ' 42' ' ' ILE . 46.7 mm -121.87 141.3 42.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.725 0.298 . . . . 0.0 111.116 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -114.75 136.87 52.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.627 HG23 HG21 ' A' ' 107' ' ' VAL . 1.9 pp -91.69 143.5 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.479 ' N ' HD22 ' A' ' 115' ' ' LEU . 2.9 mm? -89.81 -51.83 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.9 t -166.29 173.96 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.579 ' HD1' ' HB1' ' A' ' 96' ' ' ALA . 3.7 t80 -144.95 134.42 23.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.649 HG22 ' H ' ' A' ' 119' ' ' ILE . 3.7 m -150.25 171.33 17.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.649 ' H ' HG22 ' A' ' 118' ' ' THR . 14.9 mm -103.47 140.85 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 27.3 tttm -97.02 -53.39 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -166.2 135.74 3.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.811 HG12 HG22 ' A' ' 34' ' ' VAL . 34.0 m -128.21 125.07 63.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.795 ' CZ ' HG21 ' A' ' 33' ' ' THR . 34.1 p90 -137.35 174.47 10.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.746 ' OD1' HG22 ' A' ' 126' ' ' VAL . 17.6 t0 -114.07 134.79 54.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.783 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -81.08 -26.92 35.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.746 HG22 ' OD1' ' A' ' 124' ' ' ASP . 22.5 m -82.17 -22.48 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.6 t70 68.04 54.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -84.32 -54.42 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.67 -45.62 77.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.5 t -56.71 -49.43 75.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 30.6 t -46.54 -44.58 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.93 -30.71 71.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -106.79 57.02 0.47 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -105.41 103.67 13.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.859 0.362 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 18.1 p -120.3 131.64 54.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -95.82 -25.48 16.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.979 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 11.0 p -104.72 109.87 21.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 77.7 p -61.81 -51.61 67.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 148.34 -169.05 29.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 1.27 4.62 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 33.2 p -58.5 124.19 18.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.4 t -57.77 -55.87 29.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -128.6 -57.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.899 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -107.9 115.38 30.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.96 43.46 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.4 p -60.77 125.0 22.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.943 0.401 . . . . 0.0 110.863 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -169.11 152.08 4.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.812 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.25 120.99 0.41 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.503 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -118.69 40.95 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 9' ' ' ARG . 15.3 ttp-105 -166.54 157.48 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 tt -64.51 150.28 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.0 p -130.62 108.28 9.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.781 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.74 111.83 1.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -174.65 148.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 40' ' ' VAL . 56.0 mt -60.71 141.19 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.416 ' O ' HG12 ' A' ' 40' ' ' VAL . 56.6 mtm -123.06 139.7 53.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.479 HG23 ' OE1' ' A' ' 39' ' ' GLN . 21.9 m -99.92 105.35 17.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.53 HD13 ' CG1' ' A' ' 40' ' ' VAL . 10.8 mp -111.01 119.88 40.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -102.43 97.44 8.84 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.962 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 53.9 Cg_endo -69.75 107.02 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -117.54 157.23 26.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -143.89 134.48 24.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.807 ' HG2' HG23 ' A' ' 33' ' ' THR . 69.0 mt-10 -129.58 143.55 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t70 65.84 51.69 1.36 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 24' ' ' VAL . 18.0 m -120.93 100.66 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.89 132.4 53.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.531 HG21 ' CG2' ' A' ' 85' ' ' VAL . 2.2 p -71.7 -175.89 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 81' ' ' GLY . . . -59.58 -38.06 80.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -76.46 -42.19 44.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.66 54.71 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.523 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.426 HG12 ' CD2' ' A' ' 32' ' ' LEU . 47.8 t -142.88 119.5 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 111.129 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.601 ' HB3' ' CG1' ' A' ' 126' ' ' VAL . . . -70.33 125.01 25.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 31' ' ' ALA . 4.2 mm? -126.68 161.89 27.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.844 HG21 ' CE2' ' A' ' 123' ' ' TYR . 25.0 m -120.71 125.79 48.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.544 HG13 HG22 ' A' ' 122' ' ' VAL . 57.5 t -130.51 112.75 23.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.9 m -57.19 -58.63 7.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.73 133.66 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.8 t -138.97 120.34 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.843 0.354 . . . . 0.0 111.052 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.38 131.92 27.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.479 ' OE1' HG23 ' A' ' 16' ' ' THR . 8.6 tp60 -87.55 142.37 27.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.543 HG22 ' N ' ' A' ' 41' ' ' LYS . 7.8 p -138.49 165.42 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.543 ' N ' HG22 ' A' ' 40' ' ' VAL . 4.5 pttm -157.05 138.82 14.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.493 HD13 HD12 ' A' ' 112' ' ' ILE . 45.9 mm -63.49 129.98 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.3 mtm -76.27 170.39 16.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 m -109.18 -33.26 6.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 47' ' ' GLU . 27.6 mt-10 47.11 50.4 14.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 45' ' ' GLU . 56.4 tttt -31.11 -38.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 45' ' ' GLU . 1.3 tp10 -67.75 -62.47 1.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.9 mt -146.79 107.29 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.017 ' O ' HD13 ' A' ' 49' ' ' LEU . 3.1 tm? -100.78 -19.92 15.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.21 -28.62 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.446 HG11 ' OE1' ' A' ' 45' ' ' GLU . 7.5 p -49.96 -31.5 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.605 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -111.99 -35.05 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.3 t -41.16 -68.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.59 -42.77 99.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -48.89 -40.48 30.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.605 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 24.2 m-85 -86.45 -47.11 9.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.4 mt -38.96 -41.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.28 -41.87 72.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.422 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -107.47 171.49 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.948 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.721 ' O ' HD12 ' A' ' 64' ' ' ILE . 5.6 m120 -86.32 158.6 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.866 ' HA ' HD13 ' A' ' 64' ' ' ILE . 9.5 m -43.82 -32.89 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -60.94 -61.38 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 67' ' ' VAL . 48.1 t0 -39.27 -55.81 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.866 HD13 ' HA ' ' A' ' 61' ' ' VAL . 5.3 mp -41.51 -67.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' ILE . 70.8 mttt -36.53 -41.7 0.31 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -76.49 -38.79 54.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 64' ' ' ILE . 78.9 t -60.85 -58.18 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.28 -38.86 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.18 -48.49 81.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -55.85 -32.87 64.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 86.7 m -60.79 -63.4 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.5 mt -62.3 -41.62 98.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -57.79 -62.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.66 -49.49 4.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.417 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -59.57 -44.1 93.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.949 HD12 HG21 ' A' ' 99' ' ' VAL . 8.3 tp -48.6 -54.11 15.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.543 ' HG2' HG11 ' A' ' 24' ' ' VAL . 36.3 mtm-85 -46.8 -59.76 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -53.67 -54.65 34.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.3 mm -53.17 -33.04 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 tt -75.08 -42.13 57.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.742 ' O ' ' HB2' ' A' ' 27' ' ' ALA . . . -55.19 -58.32 14.32 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.518 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.46 HG23 ' HG ' ' A' ' 83' ' ' LEU . 8.8 t -52.87 -26.64 15.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.172 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.46 ' HG ' HG23 ' A' ' 82' ' ' THR . 75.9 mt -97.39 143.61 27.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.607 HG22 ' HB3' ' A' ' 27' ' ' ALA . 72.1 p -90.75 154.17 19.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.755 ' HA ' HD12 ' A' ' 88' ' ' ILE . 50.8 t -41.06 -44.07 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -57.67 -57.47 12.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -52.19 -43.93 64.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 85' ' ' VAL . 74.0 mt -50.97 -62.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' GLN . 59.0 m-85 -61.0 -49.59 76.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' TYR . 13.7 mt-30 -35.97 -65.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.52 105.51 8.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.82 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.4 mtt85 -78.76 -49.89 12.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -46.15 -51.19 14.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 97' ' ' LYS . 20.4 tt0 -59.64 -55.98 27.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -40.5 -46.58 2.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.96 -36.17 77.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 94' ' ' GLN . 16.9 ttmm -61.23 -47.23 87.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.7 mp -53.57 -24.16 12.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.949 HG21 HD12 ' A' ' 76' ' ' LEU . 43.6 t -83.37 -63.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.227 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 3.6 ptp180 -52.11 -28.32 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 5.5 mm-40 -72.04 -50.59 27.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 99' ' ' VAL . 12.7 p -70.24 -26.01 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -85.51 -42.8 14.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.37 -60.56 0.41 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.575 0.702 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.7 Cg_endo -69.74 -23.72 30.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.743 2.295 . . . . 0.0 112.286 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 103' ' ' ALA . 22.4 t0 -72.81 -59.08 2.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.479 HG12 ' CE ' ' A' ' 110' ' ' MET . 6.9 m -46.59 -44.18 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -38.79 -31.01 0.11 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.551 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 21.9 mtp85 -57.21 -56.75 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.504 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 4.5 ptt? -70.16 -33.03 71.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 114.97 35.78 1.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.421 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.493 HD12 HD13 ' A' ' 42' ' ' ILE . 31.4 mm -122.43 139.74 48.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.817 0.342 . . . . 0.0 111.091 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -114.01 132.13 56.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.433 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.1 pp -81.15 141.35 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.8 mt -99.75 -45.13 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.8 m -168.48 150.62 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -133.37 103.53 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 119' ' ' ILE . 3.2 m -121.73 166.49 14.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.502 ' H ' HG22 ' A' ' 118' ' ' THR . 31.7 mm -97.0 149.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.68 -73.87 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -139.15 155.35 47.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.544 HG22 HG13 ' A' ' 34' ' ' VAL . 93.8 t -146.11 125.83 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.844 ' CE2' HG21 ' A' ' 33' ' ' THR . 3.9 p90 -133.89 173.84 11.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.82 120.99 43.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -82.05 -31.63 30.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.601 ' CG1' ' HB3' ' A' ' 31' ' ' ALA . 35.7 m -86.69 -32.01 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.159 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 67.67 48.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -79.73 -59.28 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 130' ' ' SER . 3.3 pp -67.81 -42.52 81.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.666 ' N ' HD12 ' A' ' 129' ' ' LEU . 12.6 t -61.21 -34.14 74.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.2 m -52.88 -46.93 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 23.9 mt -53.08 -32.61 48.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.989 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 78.84 54.47 4.17 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.538 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.02 132.41 11.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.5 96.75 3.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -93.19 -25.37 17.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 138' ' ' SER . 91.8 m -106.39 -55.04 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.206 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 137' ' ' THR . 1.0 OUTLIER -37.42 -48.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.43 -176.82 19.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 -10.6 28.92 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.739 2.292 . . . . 0.0 112.284 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.6 t -88.43 156.83 18.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.801 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.9 t -137.36 126.31 24.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.907 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.437 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.9 p -134.85 140.08 45.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.907 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -91.61 120.13 32.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.94 135.04 1.92 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.411 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -107.32 115.36 30.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -102.52 125.97 49.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.803 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.86 -164.56 31.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -97.95 42.58 1.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.761 0.315 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -133.06 124.31 27.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.3 tt -62.2 150.62 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.2 t -130.68 133.5 46.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.8 tp -82.2 109.77 16.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -162.77 155.06 18.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.6 mt -76.67 123.85 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -104.32 133.9 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 m -91.8 104.1 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.708 HD22 HG11 ' A' ' 40' ' ' VAL . 7.7 mp -107.08 123.83 48.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.478 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 15.6 mp0 -101.98 97.51 8.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 110.981 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 85.07 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -101.53 140.7 35.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.581 ' SG ' HD23 ' A' ' 76' ' ' LEU . 73.3 m -134.26 111.05 9.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.498 ' OE2' ' N ' ' A' ' 23' ' ' ASP . 2.6 tp10 -103.44 149.73 24.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.498 ' N ' ' OE2' ' A' ' 22' ' ' GLU . 69.7 m-20 64.77 54.72 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.639 HG21 HD13 ' A' ' 80' ' ' LEU . 16.3 m -122.53 92.01 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HA ' ' N ' ' A' ' 31' ' ' ALA . 30.7 mt-10 -50.34 127.39 17.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.659 HG21 ' HB ' ' A' ' 85' ' ' VAL . 60.5 p -71.61 -175.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.74 -50.14 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 12.0 pt-20 -69.55 -38.16 77.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.472 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 122.26 51.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.591 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' ALA . 53.3 t -132.08 90.95 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.204 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -34.26 120.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.591 HD21 HG23 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -117.12 139.66 50.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.453 ' H ' HD13 ' A' ' 32' ' ' LEU . 1.7 m -101.31 113.99 27.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.701 HG13 HG22 ' A' ' 122' ' ' VAL . 65.9 t -123.9 117.74 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.9 m -70.03 -59.69 2.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.19 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.68 139.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.453 HG23 ' HB2' ' A' ' 120' ' ' LYS . 15.8 t -143.25 119.58 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 111.099 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.76 156.2 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -107.58 134.43 50.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.708 HG11 HD22 ' A' ' 17' ' ' LEU . 7.4 p -133.68 149.8 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' CE ' ' OE2' ' A' ' 113' ' ' GLU . 9.1 pttt -144.13 149.1 35.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.698 HD13 ' CD1' ' A' ' 112' ' ' ILE . 4.5 mm -70.76 125.13 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.1 mtt -49.7 176.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.97 166.1 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -110.08 113.72 26.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -98.9 -44.79 6.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -127.27 -73.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.14 108.52 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.633 HD11 ' HB3' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -98.09 46.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.75 3.51 44.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p -85.82 -35.47 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.633 ' HB3' HD11 ' A' ' 49' ' ' LEU . . . -105.23 -11.05 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 57' ' ' LEU . 1.7 m -78.33 -68.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.54 -24.59 32.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -75.8 -25.24 56.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.469 ' CD2' ' O ' ' A' ' 52' ' ' ALA . 10.5 m-30 -111.7 -61.41 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 56' ' ' PHE . 31.6 mt -34.23 140.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.51 -22.77 39.27 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -110.97 -175.56 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.855 0.36 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -91.42 176.35 6.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.8 m -70.66 -34.65 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -53.69 -40.37 65.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.8 -61.07 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.508 ' H ' HD12 ' A' ' 64' ' ' ILE . 3.0 mp -39.96 -61.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -46.76 -44.71 19.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -63.12 -61.58 2.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.8 t -40.76 -50.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.621 HG22 HG13 ' A' ' 112' ' ' ILE . 60.6 t -65.9 -56.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.3 tp -45.98 -34.75 4.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 71' ' ' THR . 85.6 mt-30 -58.24 -64.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 70' ' ' GLN . 11.9 m -37.41 -61.37 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.502 HD23 ' CB ' ' A' ' 103' ' ' ALA . 70.5 mt -59.65 -44.79 93.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 76' ' ' LEU . 11.8 mt-10 -58.25 -69.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -37.05 -50.45 1.55 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.573 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.415 ' CG ' HG13 ' A' ' 102' ' ' VAL . 70.2 m-70 -60.44 -37.8 82.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.687 HD12 HG21 ' A' ' 99' ' ' VAL . 5.0 tp -57.31 -50.59 72.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -59.1 -43.91 91.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 t -66.46 -39.04 88.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' A' ' 98' ' ' LEU . 24.0 mm -73.55 -29.26 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.639 HD13 HG21 ' A' ' 24' ' ' VAL . 6.5 tt -76.49 -58.93 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -43.95 -52.66 6.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.3 t -60.53 -31.77 70.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 111.088 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.57 159.44 24.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.6 p -97.1 133.16 42.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.659 ' HB ' HG21 ' A' ' 26' ' ' THR . 1.7 p -40.54 -49.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -52.07 -59.26 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -44.02 -54.93 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 71.7 mt -41.04 -63.14 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -51.98 -44.46 64.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -56.24 -68.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.27 110.87 18.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' ASP . 31.2 mtt180 -83.24 -57.0 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 92' ' ' ARG . 4.1 m-20 -37.09 -52.77 1.0 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.411 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 17.5 tp60 -51.21 -56.09 14.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.564 ' O ' HG23 ' A' ' 99' ' ' VAL . 21.3 t80 -54.93 -43.68 73.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.784 ' HB2' HG12 ' A' ' 119' ' ' ILE . . . -68.39 -19.26 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -84.14 -50.17 8.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.522 ' HB3' HD12 ' A' ' 79' ' ' ILE . 8.4 mp -52.1 -18.78 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.687 HG21 HD12 ' A' ' 76' ' ' LEU . 18.8 t -92.63 -49.68 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 17.8 ptt180 -67.13 -19.69 65.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 18.4 pt-20 -84.56 -39.2 19.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' A' ' 103' ' ' ALA . 2.0 p -76.51 -39.62 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.502 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -73.84 -33.55 64.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.806 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -44.97 -60.87 2.66 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.549 0.69 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.2 Cg_endo -69.73 -1.77 9.01 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -95.53 -57.95 2.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.585 HG12 ' CE ' ' A' ' 110' ' ' MET . 14.2 m -52.93 -25.41 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.55 -6.23 10.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -84.58 -42.06 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.585 ' CE ' HG12 ' A' ' 107' ' ' VAL . 8.1 ptt? -80.39 -32.68 37.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 123.7 12.04 4.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.698 ' CD1' HD13 ' A' ' 42' ' ' ILE . 26.8 mm -103.64 148.25 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 111.194 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.415 ' OE2' ' CE ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -126.46 141.85 51.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.48 ' C ' HD12 ' A' ' 114' ' ' ILE . 1.9 pp -93.13 142.41 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 58.0 mt -97.25 -51.36 4.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.3 t -159.45 164.58 34.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.447 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -139.49 125.78 20.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.4 160.14 38.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.784 HG12 ' HB2' ' A' ' 96' ' ' ALA . 9.5 mm -103.28 105.59 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.453 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -64.93 -74.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.822 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -137.34 150.76 47.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.81 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.701 HG22 HG13 ' A' ' 34' ' ' VAL . 38.8 t -144.78 105.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -129.66 163.43 26.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 -114.64 113.26 24.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -55.58 -26.15 42.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.428 ' O ' ' CG ' ' A' ' 127' ' ' ASP . 30.1 m -83.78 -14.45 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 126' ' ' VAL . 4.9 p-10 47.07 51.53 12.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -53.93 -34.13 58.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.786 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.4 mp -74.81 -27.57 60.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.1 t -87.23 16.26 5.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.7 t -129.76 12.78 5.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 63.7 mt -79.71 -31.2 41.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 144.59 109.59 0.66 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.512 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -83.7 145.28 28.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 40.0 p -145.75 105.47 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -168.44 146.55 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 74.7 p -131.07 149.44 52.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.0 m -79.68 -51.63 8.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 117.43 -101.22 0.92 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 114.91 3.85 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.371 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 87.9 p -136.31 112.17 9.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.785 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 96.6 p -121.11 156.68 31.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.475 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.1 p -91.45 115.11 27.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m 39.13 48.84 1.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.93 87.7 0.38 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -120.06 130.94 54.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.799 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -120.88 124.4 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.809 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 8' ' ' GLN . . . 158.11 -67.33 0.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.432 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 7' ' ' GLY . 13.5 pt20 34.43 41.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -134.76 116.43 14.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 11' ' ' SER . 2.7 tp -53.68 142.69 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.422 ' N ' HG13 ' A' ' 10' ' ' ILE . 83.4 p -96.58 142.12 29.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 13' ' ' GLU . 9.9 mt -112.28 -50.28 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' LEU . 11.5 pt-20 -37.56 147.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.486 ' CG2' ' HG2' ' A' ' 39' ' ' GLN . 46.0 mt -64.49 132.54 30.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -106.4 134.36 49.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -92.06 106.09 18.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 69' ' ' LEU . 10.3 mp -110.19 120.55 42.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.487 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 0.7 OUTLIER -104.21 97.51 11.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.56 0.695 . . . . 0.0 110.921 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.9 Cg_endo -69.67 89.79 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.743 2.296 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -101.18 140.95 34.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.0 m -140.94 135.0 30.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -128.94 155.18 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.5 t70 67.9 50.98 0.8 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.754 HG21 HD13 ' A' ' 80' ' ' LEU . 26.8 m -122.71 93.55 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -52.11 127.54 21.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.435 HG21 HG23 ' A' ' 85' ' ' VAL . 10.6 p -69.4 -177.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.424 ' CA ' ' O ' ' A' ' 81' ' ' GLY . . . -48.2 -56.54 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.49 ' HG3' HG23 ' A' ' 30' ' ' VAL . 6.4 pt-20 -64.57 -48.42 75.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.38 54.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.49 HG23 ' HG3' ' A' ' 28' ' ' GLU . 21.4 t -134.76 110.54 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.414 ' HA ' ' C ' ' A' ' 24' ' ' VAL . . . -68.05 116.71 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.073 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.556 ' CD2' HG22 ' A' ' 85' ' ' VAL . 3.3 mm? -112.42 165.48 12.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 m -126.1 107.24 10.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.2 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.922 HG22 HG12 ' A' ' 122' ' ' VAL . 53.5 t -109.31 111.33 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.9 m -59.28 -48.82 80.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.48 142.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.525 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.406 HG22 ' CG ' ' A' ' 18' ' ' GLN . 20.6 t -149.67 107.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.093 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 116' ' ' SER . . . -126.98 151.33 48.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.486 ' HG2' ' CG2' ' A' ' 14' ' ' ILE . 7.5 tt0 -106.91 128.39 54.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.432 HG22 ' N ' ' A' ' 41' ' ' LYS . 9.9 p -123.93 159.73 28.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.047 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.566 ' HG2' HD21 ' A' ' 115' ' ' LEU . 25.8 pttt -149.95 146.42 27.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.449 HD13 HD12 ' A' ' 112' ' ' ILE . 27.7 mm -67.68 124.19 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.1 mtm -64.55 176.09 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.9 160.41 14.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.599 ' HA ' HD23 ' A' ' 49' ' ' LEU . 1.6 pm0 -91.08 36.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -50.35 -39.2 45.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 49' ' ' LEU . 7.3 mm-40 -125.48 179.71 5.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -39.65 92.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.758 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -79.87 -11.87 59.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.25 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 52' ' ' ALA . 4.2 p -54.59 -49.08 69.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.775 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -100.88 -31.23 11.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.136 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -38.72 -61.97 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -71.65 -38.5 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -52.77 -34.59 53.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.775 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 24.2 m-85 -98.73 -54.42 3.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' PHE . 18.0 mt -35.29 152.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 82.88 -30.46 3.21 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.453 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -93.32 179.31 5.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.322 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -103.27 164.67 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.504 HG23 ' N ' ' A' ' 62' ' ' GLN . 24.8 m -50.89 -47.16 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.504 ' N ' HG23 ' A' ' 61' ' ' VAL . 27.6 mp0 -46.13 -54.64 8.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -42.84 -63.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.2 mp -42.58 -61.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -42.77 -45.12 4.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -66.6 -47.85 71.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.8 t -52.76 -58.42 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.1 -57.42 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 17' ' ' LEU . 8.9 tp -45.26 -46.52 12.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -57.75 -44.44 86.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.1 m -48.57 -62.37 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.47 HD23 ' HB1' ' A' ' 103' ' ' ALA . 69.0 mt -59.42 -48.56 81.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -47.85 -60.27 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -41.69 -57.74 3.26 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -51.24 -44.64 61.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.808 HD12 HG21 ' A' ' 99' ' ' VAL . 11.5 tp -44.39 -47.03 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.3 tmm_? -57.98 -69.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.782 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -38.24 -60.97 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.4 mm -52.09 -34.96 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.754 HD13 HG21 ' A' ' 24' ' ' VAL . 5.8 tt -69.41 -53.95 16.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.424 ' O ' ' CA ' ' A' ' 27' ' ' ALA . . . -45.88 -55.99 6.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 t -60.65 -21.7 63.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 0.0 111.133 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.822 HD23 ' CG1' ' A' ' 88' ' ' ILE . 7.4 tp -91.02 156.68 17.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 67.5 p -104.25 144.08 32.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.556 HG22 ' CD2' ' A' ' 32' ' ' LEU . 4.6 t -38.82 -46.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -55.11 -67.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -39.95 -54.34 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.822 ' CG1' HD23 ' A' ' 83' ' ' LEU . 78.2 mt -45.91 -54.39 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' GLN . 34.0 m-85 -64.8 -63.81 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' TYR . 25.7 mm100 -36.75 -59.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -122.2 112.78 18.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -85.87 -43.15 13.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.28 -59.99 3.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.409 HE21 HD11 ' A' ' 98' ' ' LEU . 44.8 tp60 -42.59 -63.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.424 ' CD1' HD22 ' A' ' 83' ' ' LEU . 20.5 t80 -40.12 -60.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.788 ' HB2' HD13 ' A' ' 119' ' ' ILE . . . -52.81 -63.18 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' ALA . 15.5 ttmm -35.71 -51.15 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.409 HD11 HE21 ' A' ' 94' ' ' GLN . 6.3 mp -53.8 -41.27 67.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.808 HG21 HD12 ' A' ' 76' ' ' LEU . 42.3 t -63.66 -55.15 24.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.179 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.488 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 9.2 ptt180 -62.44 -24.81 67.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 53.0 mt-10 -73.86 -46.51 44.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 p -73.77 -24.45 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.187 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -85.62 -44.24 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -34.27 -60.61 0.48 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.589 0.709 . . . . 0.0 111.07 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.782 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.2 Cg_endo -69.84 -21.58 32.91 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.618 2.212 . . . . 0.0 112.307 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 103' ' ' ALA . 11.9 t70 -74.89 -59.87 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.413 HG21 HG23 ' A' ' 114' ' ' ILE . 17.5 m -46.52 -36.2 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.16 -34.26 12.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -53.33 -57.16 11.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.723 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 10.8 ptt? -67.99 -33.59 74.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.03 33.84 1.45 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.449 HD12 HD13 ' A' ' 42' ' ' ILE . 50.7 mm -121.48 142.25 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 111.132 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -114.96 134.61 55.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.443 ' C ' HD12 ' A' ' 114' ' ' ILE . 1.9 pp -85.19 151.29 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.566 HD21 ' HG2' ' A' ' 41' ' ' LYS . 67.7 mt -106.29 -45.71 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.423 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 5.6 t -168.28 160.44 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.488 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 1.5 t80 -140.78 121.51 14.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.451 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.9 m -133.4 165.28 25.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.788 HD13 ' HB2' ' A' ' 96' ' ' ALA . 0.3 OUTLIER -106.18 114.84 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -67.81 -65.29 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -160.23 137.0 9.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.922 HG12 HG22 ' A' ' 34' ' ' VAL . 33.2 m -118.79 125.44 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -136.85 164.3 28.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 0.4 OUTLIER -100.81 112.32 24.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -65.27 -27.11 68.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.9 m -80.17 -16.83 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.08 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.47 53.3 9.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -90.45 -43.88 9.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 16.9 mt -55.8 -35.52 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.3 t -73.45 -44.73 57.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.3 t -47.2 -42.69 20.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 133' ' ' GLY . 76.3 mt -54.44 -33.47 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.554 ' O ' HG23 ' A' ' 135' ' ' THR . . . 34.42 78.34 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.514 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -45.17 110.8 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 133' ' ' GLY . 47.4 p -140.94 147.04 38.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -112.93 41.26 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 25.1 p -155.27 171.19 20.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 99.4 p -124.05 151.42 43.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -102.45 131.27 10.54 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 177.17 5.88 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.751 2.301 . . . . 0.0 112.323 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 30.9 p -153.0 172.94 16.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 80.9 p -126.56 171.3 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -158.54 162.18 37.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 4' ' ' GLY . 88.4 p -115.86 88.7 2.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.79 62.1 0.57 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.4 p -157.03 150.24 23.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -120.71 128.06 52.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.92 134.44 3.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.42 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -126.74 42.4 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.761 0.315 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -87.34 150.32 23.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 tt -57.44 144.63 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 t -111.63 142.05 44.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.422 HD23 ' H ' ' A' ' 12' ' ' LEU . 1.4 pt? -116.93 -30.1 5.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.88 149.4 8.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.535 HG22 ' NE2' ' A' ' 39' ' ' GLN . 54.5 mt -60.28 120.31 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.548 ' CG ' HG13 ' A' ' 40' ' ' VAL . 13.1 ptt? -98.76 126.5 44.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.439 HG22 HE22 ' A' ' 18' ' ' GLN . 87.0 m -80.34 114.36 19.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.62 HD12 HG11 ' A' ' 40' ' ' VAL . 57.5 mt -124.63 110.91 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -103.55 96.74 9.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.6 Cg_endo -69.74 114.81 3.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.274 . . . . 0.0 112.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HG2' HG23 ' A' ' 35' ' ' THR . 20.1 mtm180 -104.98 158.55 16.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -144.39 107.92 4.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.655 ' HB3' HG23 ' A' ' 33' ' ' THR . 12.9 pt-20 -116.33 155.12 29.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.56 44.81 14.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 24' ' ' VAL . 27.5 m -116.11 106.46 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.11 117.18 5.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 30' ' ' VAL . 32.1 p -62.13 -175.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.191 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.98 -51.93 53.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -70.86 -36.2 72.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.454 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 126.6 51.05 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.441 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.748 HG12 ' CD2' ' A' ' 32' ' ' LEU . 92.3 t -126.1 113.38 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 111.141 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.09 111.83 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.748 ' CD2' HG12 ' A' ' 30' ' ' VAL . 4.2 mm? -114.32 164.74 13.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.655 HG23 ' HB3' ' A' ' 22' ' ' GLU . 6.8 m -129.12 101.62 6.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.435 HG22 HG23 ' A' ' 122' ' ' VAL . 59.1 t -111.04 107.84 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.422 HG23 ' HG2' ' A' ' 20' ' ' ARG . 91.2 m -57.05 -48.55 78.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.194 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.5 139.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.514 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.65 HG23 ' HB2' ' A' ' 120' ' ' LYS . 18.0 t -137.8 142.52 35.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 111.143 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.62 166.65 30.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.535 ' NE2' HG22 ' A' ' 14' ' ' ILE . 5.2 mm100 -116.97 145.35 43.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.62 HG11 HD12 ' A' ' 17' ' ' LEU . 7.6 p -147.99 158.57 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' N ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -147.5 161.03 41.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.67 HD13 HD12 ' A' ' 112' ' ' ILE . 41.6 mm -91.19 93.95 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.572 ' HE2' ' C ' ' A' ' 112' ' ' ILE . 12.1 mtm -34.41 141.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.75 158.95 23.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.233 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' HA ' ' CG ' ' A' ' 49' ' ' LEU . 4.8 pt-20 -64.93 101.48 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -108.43 -27.03 10.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -173.08 108.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 53.95 49.52 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.601 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -56.91 -19.96 20.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -34.11 -33.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.536 HG13 ' N ' ' A' ' 52' ' ' ALA . 6.7 p -45.08 -49.71 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.806 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -108.72 -22.16 12.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.27 -60.78 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.813 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -72.65 -34.14 67.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -58.26 -26.69 63.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.806 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 23.8 m-85 -104.36 -50.61 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' PHE . 28.6 mt -37.83 138.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.41 -48.69 3.39 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -60.86 178.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.327 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 63' ' ' ASP . 29.3 m-80 -107.96 142.9 37.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 60' ' ' ASN . 2.8 m -33.72 -48.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -54.72 -44.76 73.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.693 ' O ' HG23 ' A' ' 67' ' ' VAL . 8.8 t0 -52.24 -49.32 64.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.656 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.5 mp -64.02 -64.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' ILE . 34.9 mtpt -36.99 -40.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -68.65 -59.27 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 63' ' ' ASP . 56.6 t -41.75 -52.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.608 HG11 HG21 ' A' ' 40' ' ' VAL . 60.5 t -64.83 -56.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tp -46.31 -38.57 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -54.22 -60.7 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.6 m -39.12 -56.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.61 -58.39 7.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -39.4 -62.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.4 -55.07 9.47 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -51.26 -50.44 59.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.792 0.329 . . . . 0.0 110.839 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.976 HD12 HG21 ' A' ' 99' ' ' VAL . 10.5 tp -48.34 -43.5 33.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.526 ' HG3' HG11 ' A' ' 24' ' ' VAL . 25.1 ttm180 -65.05 -40.05 94.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.9 t -66.88 -59.7 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.1 mm -49.37 -40.2 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.3 -51.63 55.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -43.58 -52.17 6.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.8 t -68.31 -18.76 64.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.42 HD23 ' CG1' ' A' ' 88' ' ' ILE . 7.0 tp -93.57 141.7 28.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.8 p -80.48 139.25 36.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.674 HG21 ' CD2' ' A' ' 129' ' ' LEU . 7.4 p -43.49 -33.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -71.45 -47.8 53.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -55.1 -43.31 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 85' ' ' VAL . 53.9 mt -51.61 -40.88 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' GLN . 30.4 m-85 -72.91 -51.57 18.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 89' ' ' TYR . 5.9 mm-40 -33.92 -63.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.66 105.51 4.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 94' ' ' GLN . 77.3 mtt180 -72.4 -57.54 4.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' ARG . 1.6 m-20 -37.52 -31.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 92' ' ' ARG . 57.6 tp60 -77.98 -47.75 17.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 92' ' ' ARG . 6.6 t80 -55.75 -50.22 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.867 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -65.7 -41.52 92.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -50.06 -35.02 23.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.562 ' O ' HG12 ' A' ' 102' ' ' VAL . 5.0 mp -70.52 -35.13 73.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.976 HG21 HD12 ' A' ' 76' ' ' LEU . 37.7 t -66.11 -43.36 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 24.3 ptt180 -75.95 -26.29 56.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -74.55 -41.59 60.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 98' ' ' LEU . 9.3 p -77.7 -25.07 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 104' ' ' ALA . . . -90.11 -47.2 7.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.765 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -29.32 -59.07 0.25 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.634 0.731 . . . . 0.0 111.1 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.765 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.3 Cg_endo -69.81 -34.12 15.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 103' ' ' ALA . 2.8 t70 -63.09 -53.17 57.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 108' ' ' GLY . 15.9 m -59.14 -48.06 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.492 ' N ' HG23 ' A' ' 107' ' ' VAL . . . -36.13 -48.76 1.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -44.95 -50.27 10.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.9 mtm -68.13 -41.61 81.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 125.53 31.16 0.85 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.67 HD12 HD13 ' A' ' 42' ' ' ILE . 50.6 mm -121.93 136.16 59.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.311 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.403 ' N ' ' HE2' ' A' ' 43' ' ' MET . 21.9 tt0 -113.18 137.16 51.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.68 HD12 ' O ' ' A' ' 114' ' ' ILE . 2.4 pp -94.66 128.94 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.605 ' N ' HD22 ' A' ' 115' ' ' LEU . 1.7 mm? -74.22 -51.26 15.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.976 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.7 m -165.08 -178.25 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.867 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 2.2 t80 -148.42 149.51 31.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -165.22 164.57 20.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 48.1 mm -103.17 114.68 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.65 ' HB2' HG23 ' A' ' 37' ' ' VAL . 3.0 tppt? -68.37 -68.14 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -152.15 145.69 24.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.435 HG23 HG22 ' A' ' 34' ' ' VAL . 2.4 p -131.48 119.85 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -137.13 155.08 50.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -101.37 113.55 26.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -60.86 -39.9 90.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.415 HG23 ' H ' ' A' ' 128' ' ' TYR . 27.6 m -69.76 -22.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.411 ' O ' ' CB ' ' A' ' 131' ' ' SER . 1.1 m-20 56.65 42.61 26.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 129' ' ' LEU . 0.6 OUTLIER -80.99 -52.43 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 -179.855 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.674 ' CD2' HG21 ' A' ' 85' ' ' VAL . 3.9 pp -77.51 -39.24 46.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.551 ' N ' HD12 ' A' ' 129' ' ' LEU . 2.9 m -68.62 -33.71 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 127' ' ' ASP . 1.0 OUTLIER -101.1 41.47 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.768 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 13.1 mt -71.37 -34.3 70.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -159.26 -101.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -132.91 168.99 17.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.826 0.346 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 14.8 t -162.06 139.58 8.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -92.46 -27.26 17.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 81.2 p -129.63 114.4 15.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.187 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.2 t -70.35 121.27 17.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.781 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 150.84 137.81 2.74 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 113.16 3.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.648 2.232 . . . . 0.0 112.325 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.0 m -137.67 131.23 31.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.7 t -117.16 -55.01 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -126.42 128.7 47.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.828 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.3 t -62.24 109.79 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.827 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.67 -172.17 13.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -128.16 151.8 48.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -171.28 172.3 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' GLN . . . -161.02 88.37 0.11 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' GLY . 2.8 tt0 34.02 41.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -159.16 144.61 16.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.584 ' HA ' HG12 ' A' ' 61' ' ' VAL . 19.1 tt -52.9 157.25 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 t -114.44 99.06 7.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.995 0.426 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' GLU . 6.3 tt -70.35 -44.59 67.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' LEU . 11.1 pt-20 -34.53 148.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.9 mt -50.53 151.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.57 ' HE2' HD12 ' A' ' 42' ' ' ILE . 3.0 ptt? -129.09 132.56 47.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.559 HG22 ' OE1' ' A' ' 18' ' ' GLN . 20.3 m -96.49 109.73 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -111.76 125.38 53.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.559 ' OE1' HG22 ' A' ' 16' ' ' THR . 1.1 mp0 -105.06 97.49 13.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.676 0.75 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.9 Cg_endo -69.68 96.75 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.776 2.318 . . . . 0.0 112.368 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 ptt-85 -108.42 140.21 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.809 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.766 ' HB2' HD23 ' A' ' 76' ' ' LEU . 50.5 m -143.31 113.79 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' HB3' HG23 ' A' ' 33' ' ' THR . 11.3 pt-20 -106.55 155.85 19.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.781 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 18.8 t70 67.63 45.77 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.816 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.866 HG12 ' HD2' ' A' ' 77' ' ' ARG . 34.5 m -104.76 109.3 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.08 105.97 1.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.599 HG21 ' CG2' ' A' ' 85' ' ' VAL . 71.6 p -56.64 -176.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 81' ' ' GLY . . . -52.91 -47.22 68.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' HG3' HG23 ' A' ' 30' ' ' VAL . 9.7 pt-20 -65.86 -40.79 92.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.47 50.23 0.2 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.516 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.435 HG23 ' HG3' ' A' ' 28' ' ' GLU . 22.1 t -132.69 125.92 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 0.0 111.077 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 23' ' ' ASP . . . -71.43 123.48 22.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.473 HD22 ' O ' ' A' ' 31' ' ' ALA . 2.4 mm? -121.07 165.86 14.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.41 HG23 ' HB3' ' A' ' 22' ' ' GLU . 2.9 m -122.18 114.72 21.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.198 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.5 t -124.79 110.79 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.5 m -60.45 -54.17 48.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.93 142.83 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.419 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.463 HG23 ' HB2' ' A' ' 120' ' ' LYS . 18.6 t -146.96 118.1 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.99 153.16 48.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.46 ' HG2' HD22 ' A' ' 115' ' ' LEU . 7.1 tt0 -105.21 152.1 23.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.529 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 7.1 p -155.59 158.22 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.669 ' CG ' HD11 ' A' ' 115' ' ' LEU . 4.5 ptmt -158.72 148.58 19.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.57 HD12 ' HE2' ' A' ' 15' ' ' MET . 1.1 mp -67.97 138.29 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.517 ' O ' HG22 ' A' ' 42' ' ' ILE . 25.1 mtt -70.15 -175.83 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.77 159.62 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.178 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.49 ' HA ' HD23 ' A' ' 49' ' ' LEU . 3.0 pt-20 -97.48 24.05 7.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -34.08 -36.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' LEU . 4.2 tp10 -132.53 173.76 10.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 47' ' ' GLU . 77.5 mt -34.31 94.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.839 HD11 ' HB3' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -92.19 31.74 1.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.09 -14.45 60.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.02 -32.98 50.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.839 ' HB3' HD11 ' A' ' 49' ' ' LEU . . . -121.32 19.82 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.69 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -88.97 -34.47 16.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -106.26 -22.6 12.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.485 ' OE1' ' CB ' ' A' ' 110' ' ' MET . 2.9 tt0 -68.62 -27.82 66.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.518 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 22.8 m-85 -106.88 -63.89 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 53' ' ' CYS . 81.6 mt -40.6 -60.59 1.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -37.59 -33.4 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -103.74 168.86 8.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -73.23 170.02 15.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.584 HG12 ' HA ' ' A' ' 10' ' ' ILE . 5.3 m -65.75 -18.38 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -74.27 -43.23 57.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.58 -56.41 19.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 64' ' ' ILE . 2.6 mp -38.5 -66.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -44.76 -41.57 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 67' ' ' VAL . 6.5 m-80 -68.76 -66.64 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' ASN . 57.8 t -35.24 -49.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.37 -48.71 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.3 tp -55.58 -52.32 64.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -48.89 -43.87 39.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 48.1 m -51.66 -63.99 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.431 HD23 ' CB ' ' A' ' 103' ' ' ALA . 68.3 mt -58.71 -47.97 82.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -51.53 -68.78 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.42 -39.09 1.07 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.568 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -70.64 -42.9 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.371 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.766 HD23 ' HB2' ' A' ' 21' ' ' CYS . 8.2 tp -43.87 -53.45 6.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.866 ' HD2' HG12 ' A' ' 24' ' ' VAL . 28.6 ttt-85 -65.83 -64.45 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 77' ' ' ARG . 1.8 m -36.22 -47.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' LEU . 11.1 mm -73.41 -56.01 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.764 HD13 HG21 ' A' ' 24' ' ' VAL . 7.9 tt -35.87 -42.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.525 ' O ' ' HB2' ' A' ' 27' ' ' ALA . . . -56.91 -45.56 91.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 79' ' ' ILE . 69.7 p -50.25 -32.42 16.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 111.219 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.4 mt -97.24 167.46 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 85' ' ' VAL . 68.4 p -105.55 149.06 26.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.599 ' CG2' HG21 ' A' ' 26' ' ' THR . 19.0 t -36.59 -48.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -56.4 -69.52 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -39.41 -57.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 85' ' ' VAL . 71.1 mt -39.93 -49.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.212 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.581 ' CE1' HG13 ' A' ' 122' ' ' VAL . 28.1 m-85 -67.91 -54.06 21.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 89' ' ' TYR . 12.5 mm100 -34.54 -59.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -133.75 91.74 2.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -56.34 -43.58 79.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.5 -56.04 26.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -41.48 -44.39 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.84 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.802 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -43.89 -42.02 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -48.31 -44.76 34.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.435 ' O ' HG12 ' A' ' 102' ' ' VAL . 13.4 mt -70.27 -29.79 66.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.979 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.462 HG21 HD12 ' A' ' 76' ' ' LEU . 87.9 t -72.73 -35.73 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.474 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 7.0 ptt180 -85.25 -29.76 24.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 100' ' ' ARG . 30.4 mm-40 -70.81 -33.05 70.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 98' ' ' LEU . 8.1 p -79.74 -32.24 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.581 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -80.93 -36.87 30.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.78 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -34.43 -60.26 0.52 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.543 0.687 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.78 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.0 Cg_endo -69.75 -21.81 33.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.621 2.214 . . . . 0.0 112.365 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 103' ' ' ALA . 14.2 t0 -75.59 -60.73 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.911 HG12 ' CE ' ' A' ' 110' ' ' MET . 2.1 m -51.66 -23.78 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.38 -23.81 62.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -65.06 -52.81 53.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.719 0.295 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.911 ' CE ' HG12 ' A' ' 107' ' ' VAL . 11.8 ptt? -70.47 -31.72 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.401 ' C ' HD13 ' A' ' 112' ' ' ILE . . . 119.37 19.97 4.08 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.449 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.529 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 9.8 mm -111.06 145.6 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -123.33 136.7 54.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 114' ' ' ILE . 2.3 pp -79.59 126.49 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.669 HD11 ' CG ' ' A' ' 41' ' ' LYS . 10.8 mp -87.56 -52.64 5.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 t -154.79 150.05 27.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.635 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 1.7 t80 -137.88 115.64 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.649 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.8 m -132.19 171.84 13.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.649 ' H ' HG22 ' A' ' 118' ' ' THR . 16.8 mm -107.51 137.63 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.463 ' HB2' HG23 ' A' ' 37' ' ' VAL . 16.0 ttmt -92.52 -69.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -148.69 144.97 27.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.581 HG13 ' CE1' ' A' ' 89' ' ' TYR . 2.4 p -132.6 118.19 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.128 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -132.95 162.99 30.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.49 116.45 31.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -68.12 -40.18 82.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.4 m -71.66 -14.13 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 45.44 46.25 10.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.44 -42.93 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.5 mp -81.87 -34.71 29.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.1 t -58.6 -30.14 66.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.6 m -57.33 -45.41 84.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 20.3 mt -54.7 -32.87 60.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -143.53 80.69 0.23 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.62 17.94 22.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 64.7 p -90.23 84.62 6.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -114.79 148.34 38.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 19.8 m -142.56 136.62 29.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.4 t -142.92 151.13 40.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 140.98 83.88 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 177.5 5.51 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.675 2.25 . . . . 0.0 112.394 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.6 t -134.96 152.8 52.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.8 t -108.93 143.31 38.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.476 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -86.8 148.89 25.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -165.79 177.82 6.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.17 124.36 0.7 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.6 p -128.07 110.07 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.3 p -70.68 -45.02 65.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.37 -125.99 5.75 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 61.23 35.84 18.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.946 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -39.63 153.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' ARG . 8.1 tt -35.67 141.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.176 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 p -152.8 128.55 10.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.551 ' C ' HD23 ' A' ' 12' ' ' LEU . 7.1 tt -64.9 104.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -143.83 164.64 29.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.0 mt -87.76 121.77 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.172 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.3 mtm -100.32 129.07 46.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.5 m -90.28 106.61 18.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.513 HD13 ' CG1' ' A' ' 40' ' ' VAL . 10.2 mp -115.39 119.25 35.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -108.36 97.6 23.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.722 . . . . 0.0 110.912 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.2 Cg_endo -69.83 112.08 2.99 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.713 2.275 . . . . 0.0 112.288 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -114.23 153.62 29.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.9 p -139.0 130.91 27.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 37.7 mt-10 -126.17 160.91 28.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.4 p30 46.62 47.27 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 m -118.24 119.25 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 31' ' ' ALA . 1.9 mm-40 -80.06 152.6 29.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.748 HG22 ' CD2' ' A' ' 80' ' ' LEU . 4.2 p -100.76 176.11 5.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -36.12 -39.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -76.26 -41.76 47.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' THR . . . 124.59 15.1 3.35 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 26' ' ' THR . 2.5 t -92.98 121.71 43.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 0.0 111.077 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.457 ' N ' ' OE1' ' A' ' 25' ' ' GLU . . . -69.79 119.38 13.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 30' ' ' VAL . 3.3 mm? -115.49 158.93 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -120.93 103.95 9.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.867 HG13 HG22 ' A' ' 122' ' ' VAL . 21.5 t -115.79 126.53 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.7 m -80.35 -54.11 6.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.0 146.05 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 120' ' ' LYS . 22.4 t -148.98 125.44 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 116' ' ' SER . . . -145.74 155.68 43.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -108.95 137.68 46.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.513 ' CG1' HD13 ' A' ' 17' ' ' LEU . 9.8 p -136.35 157.86 37.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HE2' HD21 ' A' ' 115' ' ' LEU . 23.7 pttt -151.38 156.3 40.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mt -87.3 135.76 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.479 ' CE ' ' HB2' ' A' ' 113' ' ' GLU . 62.1 mtm -88.27 177.69 6.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.88 -178.91 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.094 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 15.9 mm-40 -140.26 135.44 32.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -69.64 -4.25 18.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -122.93 -60.62 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 13.8 mt -159.31 149.69 19.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.697 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -131.8 18.57 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.86 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.66 -33.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.417 HG13 HD13 ' A' ' 49' ' ' LEU . 2.7 p -46.87 -42.16 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.697 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . . . -107.74 -36.51 6.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 4.6 m -58.5 -47.93 82.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -78.3 -11.06 59.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -90.38 -16.89 28.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.434 ' CD1' HG13 ' A' ' 64' ' ' ILE . 26.6 m-85 -115.5 -42.97 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.7 mt -40.87 106.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.95 -41.22 1.28 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.425 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.13 -177.18 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' ASP . 32.3 m120 -100.43 151.17 21.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.509 HG23 ' H ' ' A' ' 62' ' ' GLN . 3.1 m -38.61 -53.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.509 ' H ' HG23 ' A' ' 61' ' ' VAL . 11.9 pt20 -48.39 -38.74 20.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' ASN . 12.5 t0 -59.74 -45.3 92.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.434 HG13 ' CD1' ' A' ' 56' ' ' PHE . 2.8 mp -58.39 -58.15 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.54 -45.83 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -56.96 -63.26 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.9 t -40.65 -59.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.9 t -57.05 -44.48 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.2 tp -55.31 -41.1 71.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -59.37 -35.85 74.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 26.6 m -63.18 -60.04 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.487 HD23 ' CB ' ' A' ' 103' ' ' ALA . 96.2 mt -62.97 -44.33 96.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -60.43 -52.53 64.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.91 -40.98 27.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 78' ' ' SER . 36.1 m80 -70.31 -52.12 25.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.674 HD12 HG21 ' A' ' 99' ' ' VAL . 12.0 tp -35.39 -52.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -65.41 -39.57 92.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 75' ' ' HIS . 27.9 p -60.27 -46.64 89.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.7 mm -66.79 -45.51 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.748 ' CD2' HG22 ' A' ' 26' ' ' THR . 3.6 tt -57.3 -49.5 75.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -44.97 -51.05 8.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.2 t -75.46 -13.91 60.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 95' ' ' PHE . 3.3 tp -98.42 123.71 42.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.411 ' O ' HD12 ' A' ' 88' ' ' ILE . 38.7 p -65.88 141.0 58.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.556 ' HA ' HD13 ' A' ' 88' ' ' ILE . 7.4 p -45.77 -39.7 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.52 -36.07 71.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.19 -53.36 25.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.568 HG13 HD23 ' A' ' 83' ' ' LEU . 3.6 mp -43.88 -47.64 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -72.2 -52.71 15.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -41.8 -61.6 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.92 107.84 8.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -81.06 -52.41 7.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.89 -35.99 16.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.788 ' O ' HD12 ' A' ' 98' ' ' LEU . 21.1 tm0? -71.41 -40.75 70.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.576 ' CD1' HD22 ' A' ' 83' ' ' LEU . 22.7 t80 -64.22 -35.14 79.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.559 ' HB1' ' HD1' ' A' ' 117' ' ' PHE . . . -71.29 -15.25 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -81.88 -51.41 8.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 94' ' ' GLN . 5.4 mp -51.18 -17.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.674 HG21 HD12 ' A' ' 76' ' ' LEU . 22.2 t -89.93 -65.48 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.573 ' HB3' ' CD2' ' A' ' 117' ' ' PHE . 9.5 ptt180 -56.72 -24.71 51.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -75.32 -32.72 61.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 99' ' ' VAL . 14.0 p -89.0 -22.25 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -90.76 -29.59 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.799 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -50.39 -60.76 4.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.799 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.1 Cg_endo -69.71 -1.78 9.02 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.76 -60.15 1.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 103' ' ' ALA . 4.8 m -53.24 -37.97 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -45.22 -51.26 9.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -48.15 -49.33 32.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 45.1 mtm -65.11 -34.16 77.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.25 0.65 7.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.452 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 35.4 mm -101.24 142.86 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.479 ' HB2' ' CE ' ' A' ' 43' ' ' MET . 2.8 tp10 -126.05 132.3 51.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.432 HG23 HG21 ' A' ' 107' ' ' VAL . 2.3 pp -80.44 142.98 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.415 HD21 ' HE2' ' A' ' 41' ' ' LYS . 95.5 mt -96.65 -51.36 4.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.405 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 3.8 t -156.6 168.68 26.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 100' ' ' ARG . 1.9 t80 -146.75 129.58 16.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.639 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.8 m -144.4 172.33 13.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.639 ' H ' HG22 ' A' ' 118' ' ' THR . 27.6 mm -110.88 125.32 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.441 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -81.78 -72.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -139.89 145.03 37.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.867 HG22 HG13 ' A' ' 34' ' ' VAL . 19.8 t -139.98 110.12 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 123' ' ' TYR . 1.5 p90 -128.97 171.02 12.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 17.8 p-10 -113.81 119.68 38.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -61.3 -53.32 58.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.6 m -73.21 3.42 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.2 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 43.8 36.2 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.755 ' CD2' HD13 ' A' ' 129' ' ' LEU . 11.1 t80 -45.68 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.836 ' H ' HD22 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -61.42 -49.2 77.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.961 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.9 m -42.06 -33.14 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.0 m -82.17 -40.62 21.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.812 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 129' ' ' LEU . 63.4 mt -52.03 -34.53 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 97.32 77.87 1.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.508 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -122.41 11.78 10.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 32.0 p -137.34 107.91 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -60.33 89.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 13.0 t -80.76 153.3 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.2 t -169.68 146.35 3.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 130.09 144.46 5.59 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 173.9 10.27 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 10.6 t -109.67 166.67 10.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.795 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 49.0 p -165.11 173.07 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -111.94 89.33 3.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.95 0.405 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t -81.65 44.83 0.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.23 77.01 0.18 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 p -109.23 119.52 39.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -133.9 113.3 12.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.28 95.0 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.441 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.8 41.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.765 0.317 . . . . 0.0 110.947 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.0 ttm-85 -106.98 133.68 51.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.3 tt -55.34 150.51 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.1 p -103.29 105.91 16.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 tp -85.98 -48.0 9.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -40.28 153.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.5 mt -55.79 127.76 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.478 ' HG3' HD13 ' A' ' 17' ' ' LEU . 2.5 ptt? -108.6 137.03 47.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.1 m -94.05 110.08 21.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.478 HD13 ' HG3' ' A' ' 15' ' ' MET . 9.2 mp -113.52 113.35 25.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -106.08 97.46 15.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 113.01 3.23 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -114.03 132.85 55.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.611 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.8 m -112.26 138.96 48.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 54.2 mt-10 -128.85 151.14 49.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.539 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 2.9 p-10 46.68 49.89 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 24' ' ' VAL . 35.7 m -105.01 105.75 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -60.38 126.86 29.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.55 HG22 HD21 ' A' ' 80' ' ' LEU . 41.4 p -75.78 -175.2 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 81' ' ' GLY . . . -45.17 -56.29 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' HG3' HG23 ' A' ' 30' ' ' VAL . 13.6 pt-20 -66.27 -43.45 86.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 134.42 41.8 0.15 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.539 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.51 HG12 ' CD2' ' A' ' 32' ' ' LEU . 96.5 t -114.12 124.03 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 111.156 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' A' ' 23' ' ' ASP . . . -71.3 120.29 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.806 HD21 HG23 ' A' ' 85' ' ' VAL . 4.2 mm? -120.37 164.91 15.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.418 HG21 ' CE2' ' A' ' 123' ' ' TYR . 14.7 m -128.12 112.83 15.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.577 HG13 HG22 ' A' ' 122' ' ' VAL . 57.5 t -120.77 116.22 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 m -65.99 -52.51 48.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.55 146.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 24.3 t -151.62 119.74 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.095 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 116' ' ' SER . . . -141.52 142.56 33.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -89.4 154.96 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.457 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 8.7 p -157.32 144.69 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.537 ' HG2' HD21 ' A' ' 115' ' ' LEU . 21.6 pttt -137.9 160.85 38.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.664 HD13 ' CD1' ' A' ' 112' ' ' ILE . 47.2 mm -81.12 112.49 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 42' ' ' ILE . 6.8 mtt -45.71 172.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.73 166.08 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 1.0 OUTLIER -111.26 126.88 55.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -102.54 -49.44 3.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -121.31 -52.5 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 tp -153.15 125.93 8.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.639 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -117.47 33.34 5.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.07 -24.44 67.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.043 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 52' ' ' ALA . 4.4 p -54.71 -47.97 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.639 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . . . -99.5 -40.84 7.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.3 m -44.17 -65.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -61.63 -36.31 80.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -53.16 -32.16 46.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.546 ' CD1' HG13 ' A' ' 64' ' ' ILE . 6.3 m-85 -99.57 -52.16 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 56' ' ' PHE . 24.0 mt -33.28 140.48 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.43 -37.93 3.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.488 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -99.39 171.53 7.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.768 0.318 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -87.68 166.0 14.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.479 ' HA ' HD13 ' A' ' 64' ' ' ILE . 16.7 m -51.13 -25.15 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.458 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 56.6 mt-30 -58.35 -50.45 73.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.637 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -48.28 -56.26 8.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.751 ' H ' HD12 ' A' ' 64' ' ' ILE . 5.3 mp -52.13 -70.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -38.34 -42.32 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 62' ' ' GLN . 53.5 m-80 -66.62 -62.16 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 63' ' ' ASP . 63.4 t -40.0 -61.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.8 t -53.73 -48.48 60.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -53.76 -47.31 70.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -53.31 -44.55 68.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.455 HG21 ' CG1' ' A' ' 107' ' ' VAL . 62.7 m -50.06 -62.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.447 HD23 ' CB ' ' A' ' 103' ' ' ALA . 26.6 mt -63.8 -53.59 48.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -44.09 -59.2 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.02 -48.73 45.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -59.79 -38.45 81.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.374 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.615 HD12 HG21 ' A' ' 99' ' ' VAL . 10.3 tp -50.23 -45.12 53.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -74.42 -34.63 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.2 p -63.25 -50.22 71.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.478 ' O ' ' C ' ' A' ' 80' ' ' LEU . 36.5 mm -67.13 -65.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.55 HD21 HG22 ' A' ' 26' ' ' THR . 6.1 tt -31.55 -40.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.481 ' O ' ' HB2' ' A' ' 27' ' ' ALA . . . -42.95 -67.7 0.9 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 79' ' ' ILE . 5.5 t -46.49 -34.77 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.132 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.7 mt -79.98 140.09 36.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.6 p -87.26 145.79 26.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.806 HG23 HD21 ' A' ' 32' ' ' LEU . 7.7 p -39.78 -43.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.452 ' N ' HG13 ' A' ' 85' ' ' VAL . 2.9 tt0 -61.58 -68.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -38.99 -53.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 70.2 mt -41.99 -62.18 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.421 ' CE2' HD11 ' A' ' 32' ' ' LEU . 38.6 m-85 -52.56 -51.4 59.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -49.8 -64.34 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.18 78.82 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.54 ' HG3' HG21 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -80.85 -24.35 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' N ' ' HG2' ' A' ' 92' ' ' ARG . 0.9 OUTLIER -56.72 -51.15 69.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -61.18 -48.56 80.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -41.39 -55.87 2.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.861 ' HB2' HD11 ' A' ' 119' ' ' ILE . . . -44.38 -47.31 9.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 100' ' ' ARG . 10.9 ttmm -53.46 -57.49 10.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.585 ' O ' HG12 ' A' ' 102' ' ' VAL . 9.1 mp -41.22 -27.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.615 HG21 HD12 ' A' ' 76' ' ' LEU . 11.4 t -84.9 -40.93 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.48 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 21.5 ptt85 -67.44 -36.37 81.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.461 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 0.8 OUTLIER -70.77 -47.02 61.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 98' ' ' LEU . 7.2 p -68.37 -27.75 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.447 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -85.87 -39.83 16.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.763 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -34.0 -60.11 0.49 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.55 0.691 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.763 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.2 Cg_endo -69.76 -32.38 18.7 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -61.11 -53.18 60.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.455 ' CG1' HG21 ' A' ' 71' ' ' THR . 16.7 m -61.95 -43.22 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -37.81 -52.23 1.99 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.465 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -42.6 -51.15 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 51.0 mtm -65.85 -43.17 89.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.818 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 125.34 33.32 0.73 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.664 ' CD1' HD13 ' A' ' 42' ' ' ILE . 20.3 mm -123.69 135.47 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.782 0.325 . . . . 0.0 111.183 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -110.04 131.76 54.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.409 HD11 ' NH1' ' A' ' 100' ' ' ARG . 2.3 pp -89.6 140.56 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.537 HD21 ' HG2' ' A' ' 41' ' ' LYS . 3.1 mm? -89.58 -55.72 3.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.983 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.439 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 1.4 t -158.91 174.56 14.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.816 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.734 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -147.95 119.33 7.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.614 HG22 ' H ' ' A' ' 119' ' ' ILE . 5.0 m -135.07 170.17 16.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.861 HD11 ' HB2' ' A' ' 96' ' ' ALA . 23.9 mm -100.29 137.92 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -99.5 -52.24 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -162.16 142.91 10.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.577 HG22 HG13 ' A' ' 34' ' ' VAL . 90.3 t -137.48 119.98 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.418 ' CE2' HG21 ' A' ' 33' ' ' THR . 2.2 p90 -136.02 171.31 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 21.9 p-10 -110.03 120.06 41.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -74.42 -42.56 58.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 17.9 m -64.13 -17.54 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 51.83 39.2 25.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -78.29 -55.22 5.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.656 HD12 ' N ' ' A' ' 130' ' ' SER . 3.7 pp -73.57 -41.62 62.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.656 ' N ' HD12 ' A' ' 129' ' ' LEU . 9.2 t -60.78 -38.21 84.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.2 m -55.15 -50.85 68.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 27.4 mt -53.47 -33.38 53.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 41.33 84.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -73.66 85.34 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 135' ' ' THR . 20.5 m -112.2 39.46 2.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -72.4 172.87 9.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 59.8 m -150.09 145.59 26.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.4 t -140.94 154.62 46.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 101.87 146.25 17.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.443 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 110.83 2.65 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.0 m -116.65 121.18 40.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.9 p -154.38 154.61 33.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.546 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -134.73 155.79 49.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.839 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -137.97 141.01 40.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.8 116.09 1.54 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.439 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 t -154.41 153.3 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.949 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 m -86.02 101.94 13.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.04 127.55 1.53 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.433 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.501 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -132.74 84.77 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -165.13 141.33 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 11' ' ' SER . 6.1 tp -49.15 146.26 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.197 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.423 ' N ' HG13 ' A' ' 10' ' ' ILE . 19.6 t -82.23 122.37 27.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.2 tp -126.68 -45.75 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -50.46 161.76 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.2 mt -75.68 140.95 16.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.496 ' CE ' HG21 ' A' ' 68' ' ' VAL . 14.4 ptt? -118.78 126.04 50.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 m -79.47 108.46 13.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.765 HD12 HG11 ' A' ' 40' ' ' VAL . 81.3 mt -114.04 109.85 19.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -100.74 99.18 9.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HA ' HD11 ' A' ' 69' ' ' LEU . 53.4 Cg_endo -69.76 101.19 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.708 2.272 . . . . 0.0 112.374 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -106.29 129.6 54.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.611 ' HB3' HG11 ' A' ' 24' ' ' VAL . 72.3 m -123.86 111.98 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.491 ' CB ' HG23 ' A' ' 33' ' ' THR . 10.1 pt-20 -107.77 154.78 21.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 59.04 43.04 18.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 24' ' ' VAL . 21.7 m -104.05 102.41 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.58 114.42 4.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.66 HG22 HD21 ' A' ' 80' ' ' LEU . 1.2 p -76.09 179.96 5.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -40.85 -54.82 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -59.51 -29.36 67.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' THR . . . 112.93 -6.13 25.65 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.456 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.633 ' O ' HG23 ' A' ' 26' ' ' THR . 10.9 t -75.45 130.31 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 111.132 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.89 119.4 23.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -115.08 165.62 12.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.491 HG23 ' CB ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -124.77 104.8 8.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.77 HG22 HG12 ' A' ' 122' ' ' VAL . 78.2 t -108.56 113.09 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.0 m -65.25 -54.07 34.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.191 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.01 141.63 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.422 HG23 ' HB2' ' A' ' 120' ' ' LYS . 10.5 t -145.38 112.72 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.186 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -131.62 153.71 49.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -105.32 145.32 30.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.765 HG11 HD12 ' A' ' 17' ' ' LEU . 7.5 p -147.92 153.04 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' NZ ' HD11 ' A' ' 115' ' ' LEU . 6.1 pttm -143.76 158.43 43.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.612 HD13 ' CD1' ' A' ' 112' ' ' ILE . 18.7 mm -81.11 123.72 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.6 mtm -64.64 143.88 57.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.56 162.51 23.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -92.46 27.45 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -41.99 -39.67 1.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' LEU . 10.4 mm-40 -129.27 -177.68 4.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' GLU . 41.7 mt -36.68 95.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -102.54 32.79 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.8 6.81 14.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.156 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.2 p -91.68 -27.26 4.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.526 ' HB3' HD11 ' A' ' 49' ' ' LEU . . . -113.63 -40.75 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 5.0 t -40.8 -59.29 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -70.29 -31.67 69.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -61.16 -31.16 70.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.616 ' HB3' HD11 ' A' ' 64' ' ' ILE . 18.7 m-85 -99.31 -51.58 3.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' PHE . 14.3 mt -34.23 131.0 0.32 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.05 -25.32 27.42 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.489 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -97.5 160.5 14.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -83.46 164.83 19.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 23.6 m -59.16 -19.51 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -74.48 -52.64 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.815 ' O ' HG23 ' A' ' 67' ' ' VAL . 7.5 m-20 -48.79 -46.99 42.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 56' ' ' PHE . 6.0 mt -54.86 -70.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.522 ' N ' HG22 ' A' ' 64' ' ' ILE . 43.0 mttt -39.03 -36.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -72.33 -48.6 40.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 63' ' ' ASP . 48.8 t -51.12 -49.09 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.59 HG22 HG13 ' A' ' 112' ' ' ILE . 88.7 t -65.09 -48.35 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.454 HD11 ' HA ' ' A' ' 19' ' ' PRO . 9.3 tp -58.28 -34.48 70.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -62.07 -39.56 92.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 82.7 m -60.15 -56.85 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.408 HD23 ' CB ' ' A' ' 103' ' ' ALA . 96.4 mt -62.15 -41.92 98.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.1 -58.83 6.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -43.96 -45.76 7.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.421 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.737 ' ND1' ' HB2' ' A' ' 103' ' ' ALA . 41.3 m80 -60.18 -36.63 78.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.592 HD12 HG21 ' A' ' 99' ' ' VAL . 12.9 tp -57.84 -61.9 2.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.403 ' CD ' HG12 ' A' ' 24' ' ' VAL . 25.1 ttt180 -54.23 -42.23 69.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -61.07 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.428 HG22 ' HE1' ' A' ' 95' ' ' PHE . 22.8 mm -54.35 -32.59 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.66 HD21 HG22 ' A' ' 26' ' ' THR . 5.4 tt -72.06 -42.2 66.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -49.81 -53.88 20.11 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.9 t -68.26 -26.56 65.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 111.124 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.715 HD22 ' CE1' ' A' ' 95' ' ' PHE . 7.4 tp -83.66 134.63 34.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.0 p -72.95 154.36 40.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.556 ' HA ' HD12 ' A' ' 88' ' ' ILE . 4.3 p -59.67 -42.73 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -61.02 -35.32 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -68.46 -50.28 53.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 85' ' ' VAL . 36.4 mt -46.72 -37.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 90' ' ' GLN . 32.9 m-85 -76.19 -46.05 30.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 89' ' ' TYR . 18.7 mt-30 -38.14 -67.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.88 120.01 18.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 95' ' ' PHE . 44.0 mtm180 -87.55 -58.92 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' ARG . 1.7 p-10 -37.24 -43.23 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.78 -40.58 92.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.715 ' CE1' HD22 ' A' ' 83' ' ' LEU . 9.3 t80 -55.96 -63.74 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.442 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -46.79 -40.8 14.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -51.18 -38.2 50.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.1 mt -76.21 -39.66 54.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.592 HG21 HD12 ' A' ' 76' ' ' LEU . 61.0 t -66.85 -29.22 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.503 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 7.6 ptp180 -86.85 -29.07 22.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.409 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 3.6 mm-40 -74.26 -37.81 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.9 p -72.25 -36.73 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.737 ' HB2' ' ND1' ' A' ' 75' ' ' HIS . . . -83.15 -38.2 22.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.06 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.717 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.35 -58.07 0.53 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 55.0 Cg_endo -69.72 -26.58 27.6 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.379 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.0 OUTLIER -70.54 -55.66 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.685 HG21 HG23 ' A' ' 114' ' ' ILE . 6.1 m -48.09 -32.72 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.89 -30.76 70.37 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.98 -47.88 83.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.863 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.443 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 3.0 ptt? -76.58 -30.68 57.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.33 26.8 3.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.439 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.612 ' CD1' HD13 ' A' ' 42' ' ' ILE . 28.3 mm -117.78 145.58 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -118.11 140.8 49.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.685 HG23 HG21 ' A' ' 107' ' ' VAL . 1.7 pp -96.25 136.37 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.191 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.691 ' N ' HD22 ' A' ' 115' ' ' LEU . 1.5 mm? -89.24 -48.76 7.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.957 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.04 157.43 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.471 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 1.6 t80 -130.66 123.42 29.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.467 HG22 ' H ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER -127.18 168.64 14.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.467 ' H ' HG22 ' A' ' 118' ' ' THR . 41.2 mm -113.17 104.29 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.422 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -56.17 -74.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -158.45 142.87 15.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.77 HG12 HG22 ' A' ' 34' ' ' VAL . 35.7 m -120.92 124.51 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.072 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -137.13 164.88 27.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -97.49 111.78 23.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -65.63 -30.9 71.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.35 5.1 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 41.14 53.45 3.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -85.03 -44.34 13.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' A' ' 132' ' ' LEU . 16.2 mt -58.68 -38.68 78.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.2 t -57.81 -44.52 86.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.7 t -52.32 -48.49 65.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 129' ' ' LEU . 17.0 mt -55.46 -33.2 63.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -91.93 -84.25 1.48 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.478 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -133.2 172.3 12.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 61.0 p -117.94 99.28 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -174.96 155.43 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 138' ' ' SER . 22.4 p -73.08 -46.02 53.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 137' ' ' THR . 12.3 t -35.28 -46.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 61.14 -157.73 31.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 124.1 10.73 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.638 2.226 . . . . 0.0 112.333 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.4 m -105.76 171.49 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.7 m -161.16 172.3 16.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.935 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 m -64.56 98.29 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.912 0.387 . . . . 0.0 110.878 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -152.19 168.96 23.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.782 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.14 149.99 17.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.532 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -157.29 105.19 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m -91.23 136.25 33.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.58 136.55 4.2 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -86.24 36.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.308 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' O ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -115.32 106.25 13.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.0 tt -48.16 134.83 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.3 p -95.87 103.38 15.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.89 -28.7 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 14' ' ' ILE . 5.7 tp10 -42.35 147.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.417 ' N ' ' HG3' ' A' ' 13' ' ' GLU . 26.6 mt -53.0 140.22 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.419 ' CG ' HG13 ' A' ' 40' ' ' VAL . 2.9 ptt? -125.11 139.36 53.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.423 HG23 ' OE1' ' A' ' 39' ' ' GLN . 6.6 m -100.48 104.49 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.527 HD12 HG11 ' A' ' 40' ' ' VAL . 86.6 mt -100.82 125.6 47.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG2' HG22 ' A' ' 37' ' ' VAL . 47.0 mt-30 -105.18 97.48 13.59 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.429 ' HA ' ' CD ' ' A' ' 73' ' ' GLU . 54.4 Cg_endo -69.8 86.37 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -95.69 131.06 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.7 p -123.43 123.27 40.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.74 142.36 51.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 t70 69.31 47.91 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 24' ' ' VAL . 35.0 m -115.73 105.8 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -59.89 133.11 55.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.453 HG22 ' CD2' ' A' ' 80' ' ' LEU . 71.9 p -83.57 -175.41 5.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.212 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.49 -53.17 4.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.89 -43.6 71.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.45 28.94 0.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.9 t -99.09 131.05 47.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.779 0.323 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.37 111.48 20.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.419 HD11 HD21 ' A' ' 129' ' ' LEU . 4.3 mm? -109.83 165.93 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -128.35 107.98 10.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.437 HG22 ' CG2' ' A' ' 122' ' ' VAL . 99.2 t -119.43 119.58 61.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.1 m -68.21 -54.99 13.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.06 142.68 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.544 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.715 HG23 ' HB2' ' A' ' 120' ' ' LYS . 53.3 t -140.75 126.5 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.89 146.98 33.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.441 ' CG ' HD22 ' A' ' 115' ' ' LEU . 15.5 tp60 -103.43 132.7 49.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.527 HG11 HD12 ' A' ' 17' ' ' LEU . 8.4 p -135.53 155.12 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 1.012 ' HG2' HD11 ' A' ' 115' ' ' LEU . 7.1 pttm -144.17 150.89 38.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.52 HD13 ' CD1' ' A' ' 112' ' ' ILE . 49.8 mm -75.15 103.58 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.515 ' HE3' ' C ' ' A' ' 112' ' ' ILE . 7.1 mtm -42.53 152.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.63 156.09 16.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.521 ' HA ' HD23 ' A' ' 49' ' ' LEU . 1.5 pt-20 -65.81 107.37 1.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -114.88 -33.0 5.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -167.95 112.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.5 mt 51.94 53.05 13.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.764 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -62.63 -16.25 55.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.13 -25.85 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.04 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 p -51.92 -41.87 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.188 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.821 ' HB2' ' O ' ' A' ' 110' ' ' MET . . . -108.24 -29.86 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.7 t -42.67 -68.98 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.27 -32.4 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -58.73 -24.72 62.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.662 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 23.6 m-85 -105.77 -47.75 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.817 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' PHE . 20.3 mt -36.11 154.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.43 -41.35 2.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.532 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.432 ' HE3' ' CG ' ' A' ' 63' ' ' ASP . 4.9 mtpp -88.1 165.31 15.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.442 ' O ' HD12 ' A' ' 64' ' ' ILE . 9.3 t-20 -99.86 177.74 5.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 m -53.36 -34.82 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.44 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 40.1 mt-30 -54.22 -43.69 71.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.778 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.0 m-20 -62.94 -51.14 68.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.537 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.8 mp -60.07 -59.54 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -43.31 -37.86 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 62' ' ' GLN . 73.0 m-20 -77.49 -63.32 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 63' ' ' ASP . 84.0 t -36.88 -43.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -75.89 -62.06 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -42.54 -33.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -67.69 -42.73 81.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.477 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 18.0 m -54.12 -54.85 33.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.2 mt -68.49 -48.43 64.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' CD ' ' HA ' ' A' ' 19' ' ' PRO . 3.7 mm-40 -51.55 -58.76 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.92 -52.87 15.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 71' ' ' THR . 63.9 m-70 -52.34 -42.13 63.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.808 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.813 HD12 HG21 ' A' ' 99' ' ' VAL . 12.8 tp -51.7 -54.91 23.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -55.28 -42.68 73.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.2 t -61.86 -59.05 5.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.606 HG22 ' HE1' ' A' ' 95' ' ' PHE . 35.7 mm -60.28 -29.24 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 80' ' ' LEU . 5.4 tt -75.99 -28.64 57.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.53 -55.26 18.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 t -67.05 -12.08 58.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.795 0.331 . . . . 0.0 111.086 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.4 tp -103.15 133.62 47.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.2 p -74.59 148.94 40.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.071 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.571 ' HA ' HD12 ' A' ' 88' ' ' ILE . 2.0 p -48.12 -37.77 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.02 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -38.58 -53.16 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 85' ' ' VAL . 53.3 mt -40.02 -44.41 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.561 ' HE1' HG13 ' A' ' 122' ' ' VAL . 57.7 m-85 -73.44 -49.09 28.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' TYR . 12.7 mm100 -35.1 -64.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.43 88.69 2.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -62.33 -56.8 14.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -45.78 -42.07 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -61.4 -49.04 78.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.606 ' HE1' HG22 ' A' ' 79' ' ' ILE . 23.6 t80 -50.52 -62.21 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.76 -44.47 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -49.73 -38.67 34.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.639 ' O ' HG12 ' A' ' 102' ' ' VAL . 24.2 mt -69.88 -43.97 70.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.813 HG21 HD12 ' A' ' 76' ' ' LEU . 61.6 t -61.4 -40.22 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.489 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 4.3 ptp180 -76.57 -35.26 58.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.469 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 41.5 mt-10 -68.43 -42.18 79.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 98' ' ' LEU . 11.7 p -76.23 -25.72 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.581 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -86.94 -33.18 19.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.688 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -45.31 -56.53 9.22 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.546 0.689 . . . . 0.0 111.08 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.688 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.9 Cg_endo -69.77 -19.63 35.82 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.407 ' HB2' ' HA ' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -78.69 -60.99 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.883 HG12 ' CE ' ' A' ' 110' ' ' MET . 4.6 m -47.28 -38.74 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.36 -29.09 6.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -59.95 -46.18 90.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.883 ' CE ' HG12 ' A' ' 107' ' ' VAL . 7.6 ptt? -77.9 -33.62 51.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.17 37.69 1.0 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.52 ' CD1' HD13 ' A' ' 42' ' ' ILE . 7.0 mm -122.72 145.14 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -116.52 130.44 56.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.439 HG23 HG21 ' A' ' 107' ' ' VAL . 2.3 pp -84.47 140.33 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.012 HD11 ' HG2' ' A' ' 41' ' ' LYS . 7.1 mp -95.1 -51.9 4.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 t -163.96 152.35 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.489 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.7 OUTLIER -130.39 106.27 8.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.6 m -120.15 169.24 10.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.558 ' H ' HG22 ' A' ' 118' ' ' THR . 43.1 mm -103.76 139.08 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.715 ' HB2' HG23 ' A' ' 37' ' ' VAL . 1.6 tppt? -94.89 -72.38 0.62 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -148.23 143.9 27.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.561 HG13 ' HE1' ' A' ' 89' ' ' TYR . 2.3 p -131.57 115.78 29.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -131.76 174.49 10.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -124.9 134.72 52.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -54.99 -51.87 64.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.96 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.2 m -70.92 -0.18 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 39.24 42.86 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.14 -47.29 52.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 130' ' ' SER . 3.7 pp -82.5 -39.49 22.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.532 ' N ' HD12 ' A' ' 129' ' ' LEU . 2.2 m -64.47 -45.96 85.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -107.26 57.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.37 -32.32 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -139.45 -87.76 0.16 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -39.22 129.88 1.68 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.788 0.328 . . . . 0.0 110.824 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 4.1 t -164.09 142.44 7.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -92.05 111.95 23.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 40.3 m -94.85 -61.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.1 t -125.76 117.56 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -160.72 63.71 0.28 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 102.29 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.733 2.289 . . . . 0.0 112.313 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.5 t -42.16 119.76 1.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 89.7 p -166.0 147.08 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.486 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -57.25 144.22 36.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -81.09 -52.0 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.23 38.56 1.22 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 m -63.75 104.65 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.902 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -125.61 127.54 46.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.15 54.87 0.8 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 50.21 45.57 25.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -161.21 125.76 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 tp -56.5 142.15 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -120.99 127.57 51.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.05 91.39 0.89 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -126.04 153.34 44.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.2 mt -103.43 132.44 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.736 ' SD ' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -121.98 138.38 54.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 m -96.19 116.6 29.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.479 HD13 ' HG2' ' A' ' 15' ' ' MET . 7.3 mp -113.21 126.33 55.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.419 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 6.1 mp0 -103.46 97.44 10.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.535 ' O ' HD22 ' A' ' 76' ' ' LEU . 53.9 Cg_endo -69.74 91.72 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -106.15 157.85 17.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.418 ' HB3' HG11 ' A' ' 24' ' ' VAL . 13.8 m -141.7 140.4 33.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -129.33 145.38 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 57.74 44.57 20.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.82 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 24' ' ' VAL . 14.5 m -108.17 75.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -39.56 124.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.793 HG23 ' O ' ' A' ' 30' ' ' VAL . 76.3 p -67.94 -175.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.85 -54.73 17.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.451 ' HG2' HG23 ' A' ' 30' ' ' VAL . 1.5 pm0 -70.04 -16.09 63.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.67 47.1 1.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.793 ' O ' HG23 ' A' ' 26' ' ' THR . 57.9 t -120.58 104.0 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.88 0.372 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.33 110.38 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.782 ' CD2' HG12 ' A' ' 30' ' ' VAL . 3.9 mm? -113.13 151.23 31.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.8 m -108.97 104.62 13.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.577 HG22 HG22 ' A' ' 122' ' ' VAL . 77.0 t -110.88 119.14 58.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.0 m -70.54 -58.85 3.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.39 143.02 0.21 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 65.0 t -146.75 121.87 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.6 141.78 30.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -94.82 147.28 23.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.736 HG13 ' SD ' ' A' ' 15' ' ' MET . 8.7 p -148.16 161.06 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 40' ' ' VAL . 18.3 pttt -154.18 159.49 41.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.463 HD13 ' CD1' ' A' ' 112' ' ' ILE . 32.7 mm -78.85 121.38 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.5 mtt -47.07 172.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.41 163.81 12.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -109.06 115.31 29.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.9 mmtm -97.32 -49.41 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -125.08 -43.66 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 48' ' ' LEU . 1.8 pt? -160.92 133.42 6.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.818 HD11 ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -122.73 19.78 10.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.51 -32.79 5.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.575 HG13 ' N ' ' A' ' 52' ' ' ALA . 7.5 p -54.33 -52.0 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.818 ' HB3' HD11 ' A' ' 49' ' ' LEU . . . -104.47 18.34 22.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.5 t -89.28 -65.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -73.12 -24.12 60.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.594 ' OE1' ' CZ ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -61.31 -18.53 58.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.594 ' CZ ' ' OE1' ' A' ' 55' ' ' GLN . 23.1 m-85 -116.94 -50.31 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.4 mt -39.85 -33.22 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.76 -43.38 91.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.06 -175.76 2.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -94.27 156.45 16.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.534 HG23 ' N ' ' A' ' 62' ' ' GLN . 17.4 m -37.29 -50.16 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.534 ' N ' HG23 ' A' ' 61' ' ' VAL . 16.3 mt-30 -43.04 -66.05 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 64' ' ' ILE . 7.6 t70 -36.14 -63.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.615 ' H ' HD12 ' A' ' 64' ' ' ILE . 3.6 mp -36.33 -64.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -38.2 -49.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -62.12 -36.43 81.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 64' ' ' ILE . 84.6 t -65.4 -64.76 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.43 HG22 HG13 ' A' ' 112' ' ' ILE . 97.8 t -50.7 -29.07 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.411 ' CA ' HD23 ' A' ' 17' ' ' LEU . 36.7 tp -72.77 -41.57 64.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -58.97 -32.74 69.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 89.2 m -65.33 -61.06 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.2 -38.76 90.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -59.16 -53.79 54.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.67 -43.0 53.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.46 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.589 ' ND1' ' HB2' ' A' ' 103' ' ' ALA . 40.0 m80 -62.61 -36.91 84.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.535 HD22 ' O ' ' A' ' 19' ' ' PRO . 4.3 tp -59.16 -44.03 92.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.434 ' NE ' HG12 ' A' ' 24' ' ' VAL . 45.3 ttt180 -69.39 -40.24 77.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -64.89 -50.64 65.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.782 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 43.1 mm -65.04 -36.94 78.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.426 HD21 HG22 ' A' ' 26' ' ' THR . 6.8 tt -70.39 -44.44 68.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.91 -46.63 32.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.451 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 t -77.5 -11.66 59.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.861 0.362 . . . . 0.0 111.191 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 tp -98.82 129.98 45.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.6 p -73.13 140.28 46.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.679 ' HA ' HD12 ' A' ' 88' ' ' ILE . 2.3 p -38.25 -46.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.02 -57.21 14.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -44.94 -45.73 10.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 85' ' ' VAL . 49.2 mt -52.71 -36.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 90' ' ' GLN . 44.0 m-85 -76.34 -46.98 25.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 89' ' ' TYR . 36.0 mm-40 -33.85 -60.51 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.82 118.38 7.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -81.04 -51.04 8.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -47.08 -32.03 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.694 ' O ' HD12 ' A' ' 98' ' ' LEU . 8.3 tm0? -80.74 -32.97 35.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -68.48 -55.86 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.633 ' HB2' HG12 ' A' ' 119' ' ' ILE . . . -56.29 -20.06 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -71.62 -59.1 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 94' ' ' GLN . 5.5 mp -50.24 -18.47 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.85 -29.07 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.488 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 5.0 ptm180 -85.52 -39.8 17.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -69.02 -30.56 68.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.406 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 6.7 p -76.03 -35.49 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.589 ' HB2' ' ND1' ' A' ' 75' ' ' HIS . . . -84.16 -35.04 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.698 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -36.69 -56.81 1.3 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.616 0.722 . . . . 0.0 111.157 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.698 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.1 Cg_endo -69.77 -21.52 33.34 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.5 m-20 -77.68 -59.23 2.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.548 HG21 HG23 ' A' ' 114' ' ' ILE . 20.7 m -51.63 -31.32 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.59 -18.36 23.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -72.79 -53.52 11.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.604 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 3.7 ptt? -68.26 -33.69 74.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 118.44 28.67 2.09 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.537 ' HB ' ' HE3' ' A' ' 110' ' ' MET . 41.5 mm -114.3 141.09 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.753 0.311 . . . . 0.0 111.159 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -114.33 133.42 55.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 114' ' ' ILE . 2.3 pp -91.38 130.88 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 40' ' ' VAL . 2.4 mm? -83.91 -55.62 4.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.2 m -156.27 169.54 24.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.488 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -145.79 117.0 7.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.681 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.0 m -134.64 174.34 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.681 ' H ' HG22 ' A' ' 118' ' ' THR . 33.4 mm -113.38 135.53 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 40.6 tttm -91.08 -74.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -133.85 150.16 51.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.577 HG22 HG22 ' A' ' 34' ' ' VAL . 12.4 t -142.35 107.78 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -127.69 156.34 42.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' A' ' 124' ' ' ASP . 0.1 OUTLIER -88.89 111.81 22.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -57.13 -38.3 73.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.6 m -87.99 12.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 45.18 43.06 7.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' A' ' 128' ' ' TYR . 2.6 t80 -68.54 -63.39 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.58 HD13 ' CD1' ' A' ' 132' ' ' LEU . 0.3 OUTLIER -59.39 -47.92 83.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.0 p -51.89 -28.31 15.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -85.64 32.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.58 ' CD1' HD13 ' A' ' 129' ' ' LEU . 55.9 mt -105.93 -31.96 8.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -137.96 -70.18 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -52.27 157.42 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 15.0 t -110.05 -8.78 14.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.086 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -146.51 123.16 11.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.966 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 6.4 t -82.37 -25.85 33.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.7 m -57.21 156.53 7.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -97.99 146.86 18.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 141' ' ' SER . 53.3 Cg_endo -69.79 -19.49 35.9 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 140' ' ' PRO . 38.6 m -35.38 137.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.815 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 141' ' ' SER . 98.4 p 35.25 42.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.454 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 40' ' ' VAL . 52.6 mt . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.833 0.349 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.7 mtm -100.92 134.53 43.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.9 m -100.9 103.51 14.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 69' ' ' LEU . 20.8 mt -109.77 128.68 55.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.412 ' CG ' HG22 ' A' ' 37' ' ' VAL . 3.0 mp0 -106.41 97.54 16.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.662 0.744 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.8 Cg_endo -69.68 91.57 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.403 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -111.17 149.58 30.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 t -141.32 145.81 35.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -130.03 142.39 50.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 70.38 51.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.785 HG21 HD13 ' A' ' 80' ' ' LEU . 31.6 m -116.75 88.8 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -52.24 122.41 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.589 HG21 ' CG2' ' A' ' 85' ' ' VAL . 79.1 p -64.15 -175.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.74 -55.02 12.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.501 ' HG3' HG23 ' A' ' 30' ' ' VAL . 17.5 pt-20 -59.41 -52.39 65.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.94 42.44 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' HG3' ' A' ' 28' ' ' GLU . 48.3 t -122.55 116.47 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.122 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.7 117.81 10.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.064 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.9 mm? -116.37 164.21 14.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 m -120.04 109.6 15.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.232 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.969 HG22 HG22 ' A' ' 122' ' ' VAL . 78.8 t -114.67 123.47 70.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.535 HG21 ' HD3' ' A' ' 120' ' ' LYS . 23.2 m -75.98 -53.75 7.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.162 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.05 148.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.457 HG23 ' HB2' ' A' ' 120' ' ' LYS . 17.8 t -151.33 121.83 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.78 156.3 45.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -114.59 140.77 48.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.429 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 5.2 p -135.32 163.1 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.638 ' HG2' HD21 ' A' ' 115' ' ' LEU . 22.1 pttt -154.28 153.54 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.445 HD13 ' CD1' ' A' ' 112' ' ' ILE . 5.5 mm -69.43 148.38 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.7 mtm . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.771 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.871 0.367 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -109.74 -32.83 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.1 m -63.18 -57.82 9.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.13 -23.97 67.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -79.96 -16.51 55.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.843 0.354 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -53.94 -52.65 59.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 64' ' ' ILE . 3.6 mp -52.44 -63.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -46.4 -36.75 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -65.03 -58.29 6.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.0 t -47.11 -55.93 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.418 HG11 HG11 ' A' ' 40' ' ' VAL . 61.3 t -60.24 -49.31 84.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.487 ' N ' HD13 ' A' ' 17' ' ' LEU . 16.7 tp -54.07 -40.17 66.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -57.08 -55.69 31.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.3 m -42.37 -57.08 2.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.487 HD23 ' CB ' ' A' ' 103' ' ' ALA . 91.3 mt -64.2 -52.11 60.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.12 -67.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.09 -56.16 2.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.491 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 69.5 m-70 -47.78 -51.23 23.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.783 HD12 HG21 ' A' ' 99' ' ' VAL . 5.7 tp -42.07 -54.76 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.46 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 37.4 ttp180 -53.95 -51.85 62.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -53.46 -47.95 69.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.2 mm -69.43 -27.12 33.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.785 HD13 HG21 ' A' ' 24' ' ' VAL . 5.1 tt -77.9 -31.16 51.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.44 -46.36 70.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -71.63 -20.31 61.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.358 . . . . 0.0 111.122 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.6 mt -98.93 129.82 45.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.939 HG23 ' H ' ' A' ' 86' ' ' GLU . 6.5 t -70.4 -177.29 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.589 ' CG2' HG21 ' A' ' 26' ' ' THR . 9.5 t -77.33 -15.49 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.939 ' H ' HG23 ' A' ' 84' ' ' THR . 2.0 mp0 -87.19 -66.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -39.62 -40.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.99 -73.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -48.98 -48.56 43.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -42.43 -61.91 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.89 81.82 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 62.2 mtm180 -66.82 -45.05 79.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -45.85 -39.39 8.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -71.49 -54.4 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -39.52 -51.74 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.06 95.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -56.22 -35.26 67.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.3 mt -71.03 -49.21 47.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.783 HG21 HD12 ' A' ' 76' ' ' LEU . 21.5 t -54.6 -36.87 37.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 5.3 ptm180 -83.72 -34.11 24.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.805 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -69.88 -29.6 66.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.6 p -87.92 -29.79 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.491 ' HB2' ' CD2' ' A' ' 75' ' ' HIS . . . -86.6 -30.62 21.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.791 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -47.57 -60.37 4.24 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.577 0.703 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.791 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.9 Cg_endo -69.67 -0.32 6.67 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.404 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.81 -53.62 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 112' ' ' ILE . 16.2 m -54.91 -24.47 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.97 -15.6 36.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.435 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -76.75 -37.18 56.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.819 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.42 ' CE ' HG12 ' A' ' 107' ' ' VAL . 0.4 OUTLIER -85.48 -29.84 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.59 32.11 2.19 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.495 ' O ' HG23 ' A' ' 107' ' ' VAL . 39.3 mm -127.58 138.75 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 0.0 111.137 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -116.29 141.43 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.974 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.425 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.4 pp -88.74 143.43 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.638 HD21 ' HG2' ' A' ' 41' ' ' LYS . 2.2 mm? -94.88 -54.12 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.6 t -155.96 162.31 40.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.789 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 100' ' ' ARG . 0.6 OUTLIER -140.8 126.16 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.689 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.1 m -138.94 173.64 11.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.689 ' H ' HG22 ' A' ' 118' ' ' THR . 9.8 mm -113.75 126.32 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.535 ' HD3' HG21 ' A' ' 35' ' ' THR . 35.0 tttm -79.81 -72.25 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -149.14 139.16 22.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.969 HG22 HG22 ' A' ' 34' ' ' VAL . 21.0 t -125.72 101.97 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -118.5 167.55 11.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.492 ' HB3' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 40' ' ' VAL . 80.0 mt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.712 0.291 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 71.9 mtm -111.95 138.32 48.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.7 m -106.05 104.45 14.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 mt -113.42 128.36 56.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.474 HE22 HG13 ' A' ' 37' ' ' VAL . 3.3 mm-40 -102.0 100.5 15.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.708 . . . . 0.0 110.922 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 54.1 Cg_endo -69.71 80.53 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.381 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.9 ttp85 -95.17 141.59 28.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.403 ' HB2' HD23 ' A' ' 76' ' ' LEU . 52.8 m -142.59 119.06 10.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.68 ' HB3' HG23 ' A' ' 33' ' ' THR . 19.8 pt-20 -115.49 157.37 24.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.526 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 6.2 t0 65.32 47.27 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 24' ' ' VAL . 24.6 m -114.71 102.7 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.27 118.58 6.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.688 HG21 HG23 ' A' ' 85' ' ' VAL . 17.4 p -65.93 -175.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.452 ' HB3' HG22 ' A' ' 84' ' ' THR . . . -51.63 -50.06 61.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.482 ' HG2' HG23 ' A' ' 30' ' ' VAL . 10.6 pm0 -68.69 -26.24 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.86 51.79 0.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.482 HG23 ' HG2' ' A' ' 28' ' ' GLU . 17.0 t -130.65 115.49 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 111.15 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 23' ' ' ASP . . . -66.13 119.74 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' O ' HG22 ' A' ' 24' ' ' VAL . 4.1 mm? -122.11 165.74 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.68 HG23 ' HB3' ' A' ' 22' ' ' GLU . 2.0 m -124.54 121.49 34.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.735 HG13 HG12 ' A' ' 122' ' ' VAL . 75.6 t -126.03 108.13 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.547 HG21 ' HD3' ' A' ' 120' ' ' LYS . 42.0 m -55.61 -58.46 7.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.97 147.63 0.33 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.474 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.474 HG13 HE22 ' A' ' 18' ' ' GLN . 54.4 t -152.11 114.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 111.129 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.74 129.44 32.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.463 ' HG2' HD12 ' A' ' 115' ' ' LEU . 12.3 tt0 -84.36 131.29 34.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 41' ' ' LYS . 8.6 p -128.28 162.5 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.513 ' N ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -155.39 152.43 29.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.65 HD13 ' CD1' ' A' ' 112' ' ' ILE . 7.7 mm -73.92 129.43 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.9 mtm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.861 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.818 0.342 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 110' ' ' MET . . . -107.49 -39.8 5.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -38.51 -67.42 0.21 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -65.42 -22.18 66.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -36.34 83.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.526 ' CE1' HG23 ' A' ' 64' ' ' ILE . 26.6 m-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.829 0.347 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.26 -51.45 68.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.641 ' H ' HD12 ' A' ' 64' ' ' ILE . 5.2 mp -54.45 -64.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -41.25 -38.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -70.34 -55.97 7.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.0 t -46.65 -58.18 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.5 t -55.99 -51.85 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 tp -50.8 -40.32 55.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.07 -50.47 73.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 83.6 m -46.17 -46.51 17.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -76.48 -35.09 58.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' GLY . 33.3 mt-10 -64.4 -69.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -37.78 -52.46 1.97 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 78' ' ' SER . 30.6 m-70 -56.91 -52.09 66.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.672 HD12 HG21 ' A' ' 99' ' ' VAL . 3.4 tp -36.6 -50.57 0.81 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.569 ' HG2' HG11 ' A' ' 24' ' ' VAL . 10.3 mtp-105 -60.19 -43.66 95.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' HIS . 12.7 t -59.64 -50.83 72.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.515 HG21 ' HB2' ' A' ' 98' ' ' LEU . 17.3 mm -67.83 -24.89 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.602 HD13 HG21 ' A' ' 24' ' ' VAL . 6.2 tt -78.24 -35.48 48.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.03 -51.06 60.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -69.02 -19.17 64.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 111.096 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.712 HD22 ' CD1' ' A' ' 95' ' ' PHE . 8.8 tp -89.56 161.96 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.452 HG22 ' HB3' ' A' ' 27' ' ' ALA . 71.4 p -114.09 141.04 47.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.688 HG23 HG21 ' A' ' 26' ' ' THR . 36.7 t -36.79 -63.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 85' ' ' VAL . 20.6 mt-10 -37.12 -51.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -58.82 -58.22 9.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.668 HG12 HD23 ' A' ' 83' ' ' LEU . 80.1 mt -42.71 -43.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.487 ' CZ ' HG23 ' A' ' 122' ' ' VAL . 21.6 m-85 -74.05 -61.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' TYR . 4.8 mt-30 -33.99 -62.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.09 99.88 4.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -77.53 -35.97 52.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -53.28 -49.53 66.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -59.76 -40.2 87.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.712 ' CD1' HD22 ' A' ' 83' ' ' LEU . 21.9 t80 -53.82 -61.5 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.524 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -47.85 -47.01 31.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 14.6 ttmt -44.97 -35.24 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.515 ' HB2' HG21 ' A' ' 79' ' ' ILE . 30.8 mt -76.37 -38.56 55.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.672 HG21 HD12 ' A' ' 76' ' ' LEU . 46.7 t -67.54 -42.03 86.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.479 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 28.5 ptt180 -76.79 -30.01 56.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 97' ' ' LYS . 3.9 mm-40 -70.14 -32.41 70.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 p -83.19 -31.17 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -81.9 -41.09 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.764 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.95 -60.09 0.49 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.764 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.8 Cg_endo -69.78 -22.31 32.16 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 103' ' ' ALA . 3.9 t70 -75.46 -60.96 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.599 HG12 ' CE ' ' A' ' 110' ' ' MET . 6.6 m -48.84 -36.22 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.18 -24.76 1.6 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -63.47 -56.34 16.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.79 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.706 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 4.1 ptt? -67.51 -33.06 74.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.477 ' HA3' ' HB2' ' A' ' 52' ' ' ALA . . . 115.83 34.24 1.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.414 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.65 ' CD1' HD13 ' A' ' 42' ' ' ILE . 43.8 mm -118.78 146.91 22.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.82 0.343 . . . . 0.0 111.117 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -122.16 133.7 54.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.612 ' O ' HD12 ' A' ' 114' ' ' ILE . 2.5 pp -83.92 134.93 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.463 HD12 ' HG2' ' A' ' 39' ' ' GLN . 62.5 mt -94.61 -52.45 4.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.9 p -153.93 147.52 25.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.787 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.524 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -134.07 112.56 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.673 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.4 m -131.12 173.7 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.673 ' H ' HG22 ' A' ' 118' ' ' THR . 26.1 mm -110.48 127.35 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.547 ' HD3' HG21 ' A' ' 35' ' ' THR . 25.4 tttp -78.07 -59.3 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -170.19 141.78 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.735 HG12 HG13 ' A' ' 34' ' ' VAL . 11.2 m -118.19 128.06 75.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -137.05 172.77 12.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.566 ' HG3' HG13 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -130.73 135.72 48.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.474 ' C ' HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -91.81 113.15 25.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 16' ' ' THR . 11.0 mp -121.86 125.26 46.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.511 ' HG2' HG22 ' A' ' 37' ' ' VAL . 18.4 mp0 -106.87 96.91 15.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 54.0 Cg_endo -69.75 101.61 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.346 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 35' ' ' THR . 50.7 mtt180 -101.58 163.73 12.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -144.24 120.71 11.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.82 154.02 45.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.4 25.73 14.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 24' ' ' VAL . 20.2 m -100.24 103.39 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -64.74 123.62 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.606 HG21 ' CG2' ' A' ' 85' ' ' VAL . 20.8 p -63.51 -178.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.71 ' HB3' HG22 ' A' ' 84' ' ' THR . . . -48.21 -55.16 11.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 11.4 pt-20 -61.12 -50.93 71.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 139.57 54.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.439 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.58 HG12 ' CD2' ' A' ' 32' ' ' LEU . 93.3 t -135.59 117.23 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 111.132 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.04 116.13 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.58 ' CD2' HG12 ' A' ' 30' ' ' VAL . 3.9 mm? -115.62 154.87 28.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.759 HG21 ' CZ ' ' A' ' 123' ' ' TYR . 17.5 m -114.53 118.27 33.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.3 t -126.81 112.08 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 32.6 m -64.59 -63.95 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.25 152.15 1.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.733 HG23 ' HB2' ' A' ' 120' ' ' LYS . 16.0 t -145.43 129.86 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 111.095 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.36 154.49 42.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -109.76 122.48 47.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.566 HG13 ' HG3' ' A' ' 15' ' ' MET . 7.8 p -123.83 158.02 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' N ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -159.37 154.06 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.786 HD13 ' CD1' ' A' ' 112' ' ' ILE . 17.7 mm -66.44 134.59 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.471 ' CG ' ' HB2' ' A' ' 113' ' ' GLU . 9.4 mtt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.552 HG13 ' N ' ' A' ' 52' ' ' ALA . 11.5 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.792 0.329 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.855 ' HB2' ' HA3' ' A' ' 111' ' ' GLY . . . -94.64 -20.57 19.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.8 m -63.57 -63.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -69.22 -22.57 63.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -70.05 -31.44 69.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.811 0.339 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.955 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.4 m-20 -61.39 -37.99 85.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.2 mp -63.3 -64.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -38.44 -49.27 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -60.52 -57.1 14.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 63' ' ' ASP . 45.9 t -46.64 -58.89 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.17 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.542 HG13 ' HE3' ' A' ' 110' ' ' MET . 45.4 t -55.05 -47.15 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.3 tp -58.23 -37.95 75.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -60.67 -45.06 95.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.546 HG21 HG13 ' A' ' 107' ' ' VAL . 75.5 m -55.27 -57.57 11.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.35 -43.0 98.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 76' ' ' LEU . 12.7 mt-10 -62.39 -69.85 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.83 -48.43 0.71 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 71' ' ' THR . 43.0 m-70 -61.33 -44.41 97.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.967 HD12 HG21 ' A' ' 99' ' ' VAL . 13.9 tp -52.73 -38.8 61.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -67.19 -45.6 76.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 t -63.83 -48.8 75.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.5 mm -59.23 -37.55 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.69 ' HG ' HD11 ' A' ' 88' ' ' ILE . 7.7 tt -72.77 -32.04 65.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -61.23 -48.74 84.01 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 t -72.96 -16.05 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.766 0.317 . . . . 0.0 111.133 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.68 HD22 ' HB3' ' A' ' 87' ' ' GLN . 12.3 mt -102.03 139.53 37.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.71 HG22 ' HB3' ' A' ' 27' ' ' ALA . 57.5 p -84.88 154.17 22.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.606 ' CG2' HG21 ' A' ' 26' ' ' THR . 17.0 t -40.53 -56.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -51.64 -58.12 7.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.68 ' HB3' HD22 ' A' ' 83' ' ' LEU . 16.0 mt-30 -43.29 -39.34 3.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.69 HD11 ' HG ' ' A' ' 80' ' ' LEU . 54.8 mt -65.95 -67.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.484 ' HE1' HG13 ' A' ' 122' ' ' VAL . 36.6 m-85 -49.09 -53.08 22.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' TYR . 7.9 mm-40 -37.61 -63.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -126.06 105.95 9.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.618 ' HD3' HG21 ' A' ' 119' ' ' ILE . 48.2 mtt180 -76.82 -43.81 35.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -53.79 -46.98 71.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -58.02 -66.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.511 ' O ' HG23 ' A' ' 99' ' ' VAL . 19.5 t80 -41.0 -52.41 3.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.511 ' HB1' ' HD1' ' A' ' 117' ' ' PHE . . . -55.87 -44.15 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -57.56 -47.17 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.79 -13.71 4.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.967 HG21 HD12 ' A' ' 76' ' ' LEU . 21.2 t -95.11 -37.7 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.482 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 13.2 ptt180 -76.9 -39.27 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.89 -33.72 74.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.0 p -78.4 -29.29 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.35 -32.7 19.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.744 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -42.51 -59.19 3.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.744 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.1 Cg_endo -69.72 -8.82 24.58 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.727 2.285 . . . . 0.0 112.345 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.22 -61.29 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.628 HG12 ' CE ' ' A' ' 110' ' ' MET . 11.3 m -47.51 -37.63 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -45.14 -28.38 1.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.532 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -61.51 -57.2 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.628 ' CE ' HG12 ' A' ' 107' ' ' VAL . 5.2 ptt? -65.02 -33.05 75.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.855 ' HA3' ' HB2' ' A' ' 52' ' ' ALA . . . 116.09 29.62 2.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.786 ' CD1' HD13 ' A' ' 42' ' ' ILE . 29.3 mm -116.98 138.59 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 111.118 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.471 ' HB2' ' CG ' ' A' ' 43' ' ' MET . 3.5 tp10 -113.96 128.95 56.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.427 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.3 pp -80.49 145.99 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 77.5 mt -102.15 -52.37 3.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.8 p -156.6 161.73 39.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.511 ' HD1' ' HB1' ' A' ' 96' ' ' ALA . 2.7 t80 -143.61 126.53 16.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.643 HG22 ' H ' ' A' ' 119' ' ' ILE . 4.7 m -146.29 171.1 15.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.643 ' H ' HG22 ' A' ' 118' ' ' THR . 46.6 mm -98.33 140.45 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.733 ' HB2' HG23 ' A' ' 37' ' ' VAL . 21.9 tptp -99.87 -69.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.89 143.73 26.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.484 HG13 ' HE1' ' A' ' 89' ' ' TYR . 2.9 p -134.14 129.17 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.759 ' CZ ' HG21 ' A' ' 33' ' ' THR . 2.5 p90 -136.86 170.94 15.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 40' ' ' VAL . 31.1 mt . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.814 0.34 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.712 ' O ' HG12 ' A' ' 40' ' ' VAL . 45.4 mtm -101.96 121.2 41.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.8 m -85.29 102.6 13.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.482 ' CD1' HG11 ' A' ' 40' ' ' VAL . 37.9 mt -109.97 126.96 54.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' HG2' HG22 ' A' ' 37' ' ' VAL . 37.3 mt-30 -101.99 97.68 8.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.691 0.758 . . . . 0.0 110.939 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 79.98 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.693 2.262 . . . . 0.0 112.321 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -95.37 141.24 29.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.455 ' HB3' HD23 ' A' ' 76' ' ' LEU . 13.8 p -129.52 124.12 33.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -124.17 143.45 50.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.408 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 7.7 m-20 66.43 49.77 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.834 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 24' ' ' VAL . 35.6 m -119.22 88.71 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -53.76 126.46 22.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 30' ' ' VAL . 18.0 p -72.32 -175.08 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.83 -55.19 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.498 ' HG3' HG23 ' A' ' 30' ' ' VAL . 7.8 pt-20 -63.32 -40.43 97.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.46 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 124.38 46.51 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.732 HG12 ' CD2' ' A' ' 32' ' ' LEU . 86.1 t -122.04 100.26 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB1' ' HA ' ' A' ' 23' ' ' ASP . . . -57.3 115.93 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.732 ' CD2' HG12 ' A' ' 30' ' ' VAL . 4.1 mm? -116.23 161.16 19.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.91 108.44 13.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.647 HG13 HG12 ' A' ' 122' ' ' VAL . 94.1 t -112.35 113.51 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.9 m -61.04 -55.77 28.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.74 145.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 120' ' ' LYS . 24.6 t -148.39 122.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 111.167 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.51 138.8 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.425 ' CG ' HG21 ' A' ' 14' ' ' ILE . 10.8 tt0 -93.42 136.97 33.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.712 HG12 ' O ' ' A' ' 15' ' ' MET . 8.4 p -133.91 161.22 41.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.621 ' HG2' HD21 ' A' ' 115' ' ' LEU . 35.3 pttt -151.35 152.35 33.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.626 HD13 ' CD1' ' A' ' 112' ' ' ILE . 37.5 mm -78.35 121.84 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.2 mtt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 179.88 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 52' ' ' ALA . 6.7 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.735 ' HB2' ' HA3' ' A' ' 111' ' ' GLY . . . -100.79 -38.24 8.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.8 m -57.28 -57.17 13.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.09 -31.44 72.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.08 -42.09 93.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.912 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.807 0.337 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 64' ' ' ILE . 1.0 OUTLIER -45.89 -61.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 64' ' ' ILE . 5.2 mp -35.59 -67.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 64' ' ' ILE . 36.4 mttt -34.96 -49.46 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -68.32 -55.09 13.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.4 t -44.09 -61.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.435 HG22 HG13 ' A' ' 112' ' ' ILE . 43.2 t -50.89 -50.37 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 tp -56.14 -40.22 73.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -59.26 -37.45 77.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 94.3 m -58.44 -57.07 14.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.1 mt -65.05 -48.05 75.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -49.88 -64.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.34 -59.21 2.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -48.26 -45.76 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.86 0.362 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.994 HD12 HG21 ' A' ' 99' ' ' VAL . 10.2 tp -51.67 -37.98 52.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.407 ' HG2' HG11 ' A' ' 24' ' ' VAL . 30.6 mtt180 -68.52 -36.97 79.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 t -69.29 -55.0 11.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.565 ' O ' HG22 ' A' ' 82' ' ' THR . 22.6 mm -56.71 -47.02 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.19 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.409 ' CD2' HG22 ' A' ' 26' ' ' THR . 4.2 tt -58.32 -44.73 88.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.967 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.75 -55.61 11.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 79' ' ' ILE . 10.0 t -63.24 -24.62 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.328 . . . . 0.0 111.166 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -91.35 124.24 35.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.1 p -65.35 153.89 39.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.656 ' HA ' HD12 ' A' ' 88' ' ' ILE . 6.2 p -52.56 -43.77 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.424 ' N ' HG13 ' A' ' 85' ' ' VAL . 21.0 mp0 -56.71 -59.83 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -44.4 -56.05 4.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 85' ' ' VAL . 48.0 mt -40.91 -58.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -57.93 -57.87 10.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -44.65 -61.84 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.32 90.5 3.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -88.64 -29.68 19.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.3 -44.86 68.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -69.07 -42.53 76.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -48.46 -40.92 27.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.1 -45.37 88.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -53.87 -43.34 69.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.59 -37.06 75.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.994 HG21 HD12 ' A' ' 76' ' ' LEU . 41.8 t -66.01 -61.93 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.472 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 4.9 ptm180 -58.61 -26.97 64.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -73.43 -39.73 64.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 99' ' ' VAL . 10.3 p -80.57 -23.43 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -90.63 -39.17 12.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.804 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -37.89 -60.72 0.9 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.804 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.1 Cg_endo -69.74 -16.15 37.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.305 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 103' ' ' ALA . 12.3 t70 -80.29 -60.48 2.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.405 HG21 HG23 ' A' ' 114' ' ' ILE . 8.9 m -44.87 -37.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.61 -34.07 9.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.5 ptt85 -55.26 -43.65 74.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -83.8 -31.96 25.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.735 ' HA3' ' HB2' ' A' ' 52' ' ' ALA . . . 115.23 25.07 3.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.626 ' CD1' HD13 ' A' ' 42' ' ' ILE . 14.8 mm -107.46 132.28 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.068 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -107.27 132.38 53.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.442 ' O ' HD12 ' A' ' 114' ' ' ILE . 2.2 pp -92.09 137.2 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.621 HD21 ' HG2' ' A' ' 41' ' ' LYS . 2.8 mm? -87.27 -55.2 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 m -158.48 172.57 18.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.472 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -147.57 131.17 16.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.678 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.5 m -149.7 173.36 13.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.678 ' H ' HG22 ' A' ' 118' ' ' THR . 49.8 mm -107.69 134.09 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.458 ' HB2' HG23 ' A' ' 37' ' ' VAL . 25.0 tptt -90.89 -62.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -163.44 134.91 4.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.647 HG12 HG13 ' A' ' 34' ' ' VAL . 4.5 m -122.12 133.52 68.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -136.83 172.8 12.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.799 0.333 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -112.09 140.39 46.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.2 m -97.66 101.2 12.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.534 HD12 HG11 ' A' ' 40' ' ' VAL . 65.4 mt -110.96 117.43 33.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -104.9 97.53 13.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.933 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 53.5 Cg_endo -69.82 102.14 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -108.54 154.24 22.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.0 m -141.44 124.97 16.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.6 ' HG2' HG23 ' A' ' 33' ' ' THR . 61.0 mt-10 -119.96 158.27 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.5 p-10 46.61 52.04 11.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 24' ' ' VAL . 13.3 m -117.82 90.68 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.423 ' HA ' ' C ' ' A' ' 30' ' ' VAL . 47.1 mt-10 -53.51 126.46 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.681 HG23 HD23 ' A' ' 32' ' ' LEU . 41.2 p -71.37 -175.86 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -45.22 -57.15 4.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -62.57 -30.92 71.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.38 40.15 0.75 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.516 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.434 ' O ' HD23 ' A' ' 32' ' ' LEU . 88.9 t -116.07 115.6 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.7 121.36 13.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.681 HD23 HG23 ' A' ' 26' ' ' THR . 4.1 mm? -118.24 159.32 23.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.647 HG21 ' CE2' ' A' ' 123' ' ' TYR . 57.3 m -126.54 105.76 8.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.7 t -116.42 109.25 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 m -55.58 -52.95 62.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.42 137.19 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.6 t -145.62 121.69 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.58 155.05 45.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.059 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.782 ' HG2' HD12 ' A' ' 115' ' ' LEU . 10.9 tt0 -112.34 133.04 54.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.534 HG11 HD12 ' A' ' 17' ' ' LEU . 8.6 p -129.34 161.49 38.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.503 ' N ' HG22 ' A' ' 40' ' ' VAL . 23.4 pttt -153.88 143.05 21.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.511 HD11 HG21 ' A' ' 64' ' ' ILE . 3.4 mm -64.55 125.11 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.4 mtt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.897 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.829 0.347 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.608 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -108.03 -32.97 7.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.89 -25.6 67.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -80.8 -33.31 34.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.484 ' HG3' ' CD1' ' A' ' 56' ' ' PHE . 3.8 pt20 -81.18 -3.74 53.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.608 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 21.3 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.468 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 43.0 mt-30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.811 0.338 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.738 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.0 m-20 -69.25 -47.54 64.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.511 HG21 HD11 ' A' ' 42' ' ' ILE . 4.2 mp -60.79 -53.12 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -53.26 -38.09 62.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 62' ' ' GLN . 40.2 m-20 -71.46 -64.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 63' ' ' ASP . 58.5 t -39.36 -58.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.516 HG11 HG21 ' A' ' 40' ' ' VAL . 57.0 t -54.48 -47.52 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 tp -56.34 -45.79 80.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -50.55 -52.37 39.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.45 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 57.9 m -44.42 -60.22 2.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.8 mt -63.82 -58.62 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -37.4 -61.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.46 -50.4 30.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 71' ' ' THR . 66.8 m-70 -54.98 -38.66 68.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.975 HD12 HG21 ' A' ' 99' ' ' VAL . 7.3 tp -59.46 -47.03 87.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.7 ttp-105 -60.1 -49.85 76.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 t -58.52 -56.2 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.0 mm -55.44 -29.38 23.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.552 HD23 HG22 ' A' ' 26' ' ' THR . 2.5 tt -75.48 -47.04 28.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -54.01 -56.24 21.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 83' ' ' LEU . 9.0 t -55.57 -40.43 71.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.419 ' N ' HG23 ' A' ' 82' ' ' THR . 13.5 mt -75.95 158.7 31.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' VAL . 18.7 p -97.68 138.74 34.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.652 HG13 ' OE1' ' A' ' 86' ' ' GLU . 2.5 p -37.67 -36.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.652 ' OE1' HG13 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -63.24 -49.24 74.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -61.59 -36.6 81.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.6 mt -62.68 -49.45 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.437 ' O ' ' C ' ' A' ' 90' ' ' GLN . 11.6 m-85 -69.52 -45.07 69.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 89' ' ' TYR . 23.7 mm-40 -35.12 -62.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.89 106.84 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -68.03 -43.02 79.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -50.53 -54.1 25.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -60.08 -46.85 88.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -48.29 -58.76 4.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.479 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -55.64 -41.04 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -48.33 -35.23 11.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.401 ' O ' HG12 ' A' ' 102' ' ' VAL . 7.4 mp -72.84 -33.89 66.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.975 HG21 HD12 ' A' ' 76' ' ' LEU . 45.3 t -69.76 -47.07 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.487 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 25.9 ptt180 -71.7 -21.69 61.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.426 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 17.3 mt-10 -79.35 -39.79 31.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.402 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 11.0 p -79.25 -20.55 12.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.46 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -93.02 -36.74 12.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.743 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -42.75 -58.44 3.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 52.5 Cg_endo -69.79 -12.38 32.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.271 . . . . 0.0 112.306 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 102' ' ' VAL . 1.1 m-20 -86.19 -62.01 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.599 HG12 ' CE ' ' A' ' 110' ' ' MET . 4.1 m -43.79 -41.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.78 -34.39 1.86 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.545 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -52.69 -53.76 43.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.599 ' CE ' HG12 ' A' ' 107' ' ' VAL . 5.8 ptt? -71.47 -37.01 71.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.95 34.07 1.01 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.474 ' CD1' HD13 ' A' ' 42' ' ' ILE . 47.9 mm -118.74 140.44 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 111.061 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -115.36 126.16 54.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.413 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.4 pp -78.15 142.72 13.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.782 HD12 ' HG2' ' A' ' 39' ' ' GLN . 46.8 mt -94.01 -48.64 6.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.4 t -167.44 163.95 14.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.487 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.8 OUTLIER -142.14 122.28 13.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.932 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.7 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.6 m -136.01 175.67 9.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.7 ' H ' HG22 ' A' ' 118' ' ' THR . 49.0 mm -118.55 122.75 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -74.33 -61.4 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -156.44 143.8 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 p -129.77 121.94 53.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.647 ' CE2' HG21 ' A' ' 33' ' ' THR . 3.2 p90 -137.07 165.08 26.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.5 mt . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.79 0.329 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.488 ' CG ' HG13 ' A' ' 40' ' ' VAL . 3.1 ptt? -99.36 129.87 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.2 m -93.66 112.95 24.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.408 ' CD1' HG11 ' A' ' 40' ' ' VAL . 13.7 mt -114.2 123.21 49.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.616 ' HG2' HG22 ' A' ' 37' ' ' VAL . 56.0 mt-30 -102.61 97.57 9.31 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.729 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' O ' HD22 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.72 87.21 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.617 2.211 . . . . 0.0 112.346 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -101.69 142.87 32.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.2 m -133.4 121.33 22.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.48 141.83 48.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t0 71.35 52.21 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 24' ' ' VAL . 17.1 m -124.09 94.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.431 ' HA ' ' C ' ' A' ' 30' ' ' VAL . 29.6 mt-10 -56.15 121.03 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.533 HG21 HG23 ' A' ' 85' ' ' VAL . 71.4 p -60.67 -176.55 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -47.02 -57.68 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.563 ' HG3' HG23 ' A' ' 30' ' ' VAL . 7.4 pt-20 -59.54 -53.69 55.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 143.32 51.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.596 ' O ' HD23 ' A' ' 32' ' ' LEU . 23.6 t -129.67 107.84 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 111.11 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.96 111.85 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 30' ' ' VAL . 4.0 mm? -111.06 165.72 11.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.81 115.64 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.779 HG22 HG22 ' A' ' 122' ' ' VAL . 75.4 t -123.92 125.17 70.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.5 m -75.32 -61.71 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.23 136.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.616 HG22 ' HG2' ' A' ' 18' ' ' GLN . 5.5 t -135.5 128.32 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 116' ' ' SER . . . -148.26 152.67 37.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.072 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -109.24 145.21 36.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.591 ' HA ' HD23 ' A' ' 115' ' ' LEU . 9.9 p -146.82 159.69 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.169 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.934 ' HG2' HD21 ' A' ' 115' ' ' LEU . 12.7 pttt -156.95 151.15 25.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.472 HG13 ' CD1' ' A' ' 112' ' ' ILE . 1.3 mp -73.92 119.09 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.07 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 31.6 mtm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.913 179.74 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.522 HG13 ' N ' ' A' ' 52' ' ' ALA . 7.3 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.814 0.34 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 110' ' ' MET . . . -102.98 -28.19 12.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.79 -66.89 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -65.85 -33.9 76.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -57.02 -35.19 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.618 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 20.1 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 64' ' ' ILE . 2.2 m-20 -49.27 -59.21 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.565 HD11 ' HB3' ' A' ' 56' ' ' PHE . 2.9 mp -35.75 -67.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -38.75 -51.73 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' VAL . 23.5 m-80 -63.15 -62.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' ASN . 73.6 t -37.11 -50.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.8 t -66.16 -59.89 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 tp -45.62 -33.19 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -64.8 -40.46 95.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.497 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 19.7 m -58.26 -53.65 55.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.9 mt -67.1 -40.82 87.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -61.04 -44.54 97.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.24 -43.36 99.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 90.4 m-70 -65.51 -43.66 89.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.922 HD12 HG21 ' A' ' 99' ' ' VAL . 4.5 tp -50.6 -51.95 43.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.488 ' HG2' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -54.22 -48.24 71.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.64 ' O ' HG22 ' A' ' 82' ' ' THR . 7.5 t -58.28 -57.98 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.542 HG21 ' HB2' ' A' ' 98' ' ' LEU . 42.7 mm -55.24 -30.46 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.125 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.415 HD13 HG21 ' A' ' 24' ' ' VAL . 4.6 tt -73.84 -57.85 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -47.72 -61.28 4.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 78' ' ' SER . 4.8 t -53.07 -18.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 0.0 111.081 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 79' ' ' ILE . 12.9 mt -97.81 163.76 12.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 85' ' ' VAL . 64.9 p -106.5 140.08 39.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.559 ' HA ' HD12 ' A' ' 88' ' ' ILE . 16.7 t -33.94 -52.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -51.08 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -38.3 -49.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 85' ' ' VAL . 58.2 mt -51.79 -52.93 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 90' ' ' GLN . 18.6 m-85 -62.74 -56.88 13.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 89' ' ' TYR . 5.6 mm-40 -35.75 -60.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.23 101.72 7.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -76.72 -56.64 4.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -47.83 -43.35 27.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -60.12 -47.1 87.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -48.87 -58.97 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.499 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -56.08 -40.32 73.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 32.5 ttmt -53.11 -33.74 53.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.542 ' HB2' HG21 ' A' ' 79' ' ' ILE . 28.1 mt -72.44 -45.54 59.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.922 HG21 HD12 ' A' ' 76' ' ' LEU . 21.2 t -61.6 -42.69 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.428 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 7.6 ptm180 -72.62 -27.2 62.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 97' ' ' LYS . 4.8 mm-40 -75.15 -36.53 61.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.3 p -82.37 -24.88 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.522 ' HB2' ' CD2' ' A' ' 75' ' ' HIS . . . -89.6 -30.55 18.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.79 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -47.57 -60.19 4.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.681 0.753 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.3 Cg_endo -69.74 -2.47 10.21 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.653 2.235 . . . . 0.0 112.398 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.47 -54.87 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.531 HG12 ' HE3' ' A' ' 110' ' ' MET . 19.1 m -55.56 -31.22 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.84 -23.35 37.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -65.76 -50.76 63.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.767 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 2.1 ptt? -70.82 -35.01 72.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 123.68 19.32 2.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.472 ' CD1' HG13 ' A' ' 42' ' ' ILE . 18.0 mm -113.03 142.93 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 111.159 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -118.97 134.76 54.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.569 ' O ' HD12 ' A' ' 114' ' ' ILE . 2.3 pp -81.92 134.91 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.934 HD21 ' HG2' ' A' ' 41' ' ' LYS . 4.0 mm? -85.94 -53.4 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.435 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 2.3 m -161.19 167.89 25.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.499 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.4 OUTLIER -146.04 125.43 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.664 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.8 m -139.68 173.56 11.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.664 ' H ' HG22 ' A' ' 118' ' ' THR . 19.9 mm -113.23 115.52 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -77.21 -72.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.76 148.81 52.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.779 HG22 HG22 ' A' ' 34' ' ' VAL . 29.3 t -142.74 105.04 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 123' ' ' TYR . 1.0 OUTLIER -127.25 170.47 12.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.449 ' HB3' HD13 ' A' ' 32' ' ' LEU . 31.7 p-10 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.4 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.841 0.353 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.414 ' O ' HG12 ' A' ' 40' ' ' VAL . 22.3 mtm -120.69 138.91 53.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.401 ' CA ' HE22 ' A' ' 39' ' ' GLN . 33.4 m -103.9 105.56 15.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -115.13 131.63 56.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.419 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -117.73 97.39 50.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.521 0.677 . . . . 0.0 110.914 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.4 Cg_endo -69.76 112.9 3.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.639 2.226 . . . . 0.0 112.367 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -112.87 144.41 42.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -135.45 116.23 14.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.554 ' CB ' HG23 ' A' ' 33' ' ' THR . 12.0 pt-20 -122.17 152.2 40.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 60.69 47.01 8.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 24' ' ' VAL . 18.6 m -116.68 91.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -51.27 113.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 30' ' ' VAL . 25.8 p -62.71 -178.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.15 -54.39 31.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.745 ' CD ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -59.16 -32.82 70.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 115.41 51.03 0.44 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 26' ' ' THR . 93.2 t -137.14 120.55 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.476 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -69.55 124.47 24.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 31' ' ' ALA . 2.7 mm? -121.2 165.79 14.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.554 HG23 ' CB ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -131.21 110.59 11.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.508 HG22 HG23 ' A' ' 122' ' ' VAL . 80.3 t -121.09 111.19 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.6 m -57.31 -53.9 52.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.03 138.31 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.458 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.6 t -145.91 128.17 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.8 149.34 36.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.401 HE22 ' CA ' ' A' ' 16' ' ' THR . 37.3 tp60 -105.31 124.42 49.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 15' ' ' MET . 4.2 p -121.16 162.16 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.02 149.96 20.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.613 HD13 ' CD1' ' A' ' 112' ' ' ILE . 35.3 mm -67.01 139.39 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.476 ' HE1' ' HB2' ' A' ' 113' ' ' GLU . 8.4 mtm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.872 0.367 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.33 -34.16 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.167 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -46.15 -68.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.43 -10.8 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -83.6 -22.18 32.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.618 ' HZ ' HD11 ' A' ' 112' ' ' ILE . 19.0 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.82 0.343 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -59.13 -66.82 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.801 ' H ' HD12 ' A' ' 64' ' ' ILE . 5.0 mp -41.55 -58.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -45.1 -41.85 8.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -64.34 -56.69 12.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.5 t -47.14 -61.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.545 HG22 HG13 ' A' ' 112' ' ' ILE . 59.5 t -58.76 -48.71 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.75 -39.67 58.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -58.42 -54.36 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.547 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 38.0 m -42.46 -54.03 4.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD23 ' CB ' ' A' ' 103' ' ' ALA . 68.4 mt -66.09 -54.86 20.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -46.65 -66.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -36.91 -54.5 1.46 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.425 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 71' ' ' THR . 75.1 m-70 -53.24 -52.55 58.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.662 HD12 HG21 ' A' ' 99' ' ' VAL . 20.7 tp -39.37 -53.78 1.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.419 ' HG2' HG11 ' A' ' 24' ' ' VAL . 3.7 tmm_? -61.01 -41.23 96.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.8 m -62.01 -58.82 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.416 HG21 ' HB2' ' A' ' 98' ' ' LEU . 34.4 mm -57.01 -25.14 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.605 ' CD2' HG22 ' A' ' 26' ' ' THR . 4.1 tt -80.49 -39.22 28.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.76 -49.0 73.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 t -68.33 -23.76 64.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.798 0.332 . . . . 0.0 111.174 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -93.47 160.7 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -95.99 166.13 11.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.421 ' HA ' HD12 ' A' ' 88' ' ' ILE . 1.5 p -64.75 -42.8 95.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -61.36 -38.17 85.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -64.56 -50.34 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.435 HD11 ' HG ' ' A' ' 80' ' ' LEU . 36.0 mt -50.17 -39.3 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' GLN . 14.3 m-85 -76.15 -48.23 21.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' TYR . 4.6 mm100 -35.3 -62.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -144.6 107.23 4.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -75.54 -41.71 54.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -46.76 -42.54 17.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.429 ' NE2' HD21 ' A' ' 98' ' ' LEU . 16.7 tm0? -68.81 -43.79 74.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -52.39 -63.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -45.54 -46.56 14.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -47.65 -40.96 21.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.429 HD21 ' NE2' ' A' ' 94' ' ' GLN . 16.8 mt -70.73 -39.56 73.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.662 HG21 HD12 ' A' ' 76' ' ' LEU . 61.3 t -64.16 -37.21 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.529 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 11.3 ptm180 -80.68 -24.34 38.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 8.8 mt-10 -76.08 -40.32 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.88 -25.08 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.534 ' HB2' ' CD2' ' A' ' 75' ' ' HIS . . . -94.41 -39.57 10.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.764 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.4 -60.24 0.43 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 111.069 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.764 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.7 Cg_endo -69.74 -28.33 25.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.317 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 103' ' ' ALA . 27.4 t0 -64.78 -54.94 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.475 ' HA ' ' CE ' ' A' ' 110' ' ' MET . 19.7 m -59.66 -38.47 75.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -45.22 -31.66 3.24 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.441 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 109' ' ' ARG . 17.0 mtp-105 -65.21 -46.73 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 107' ' ' VAL . 3.4 mpp? -71.18 -36.49 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 122.73 12.04 5.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.618 HD11 ' HZ ' ' A' ' 56' ' ' PHE . 44.4 mm -105.42 136.9 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.773 0.321 . . . . 0.0 111.107 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.476 ' HB2' ' HE1' ' A' ' 43' ' ' MET . 0.0 OUTLIER -112.25 146.59 37.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.506 ' O ' HD12 ' A' ' 114' ' ' ILE . 2.0 pp -99.95 135.59 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.2 mt -91.14 -54.6 3.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 35.1 m -157.19 160.9 39.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -139.09 119.39 13.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.657 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.4 m -125.49 173.73 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.657 ' H ' HG22 ' A' ' 118' ' ' THR . 37.3 mm -119.26 103.85 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 31.0 tttm -54.68 -71.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -144.22 159.56 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.508 HG23 HG22 ' A' ' 34' ' ' VAL . 2.4 p -145.34 117.65 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.182 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -133.16 161.72 33.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.1 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.785 0.326 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.417 ' CE ' HG21 ' A' ' 68' ' ' VAL . 1.1 ptt? -106.63 137.33 44.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.428 ' OG1' ' NE2' ' A' ' 39' ' ' GLN . 32.0 m -96.68 114.67 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.553 HD21 ' HB ' ' A' ' 68' ' ' VAL . 6.0 mp -110.65 129.34 55.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HG2' HG22 ' A' ' 37' ' ' VAL . 29.2 mt-30 -103.43 97.61 10.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.707 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 54.0 Cg_endo -69.75 80.52 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.624 2.216 . . . . 0.0 112.373 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' CB ' ' HA ' ' A' ' 35' ' ' THR . 39.1 ptt180 -102.35 147.18 27.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 t -143.63 141.41 30.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.64 147.94 51.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 73.29 38.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 24' ' ' VAL . 27.3 m -111.24 95.82 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -52.1 130.43 30.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.756 HG21 ' CG2' ' A' ' 85' ' ' VAL . 3.2 p -74.14 -178.88 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.26 -57.83 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -62.01 -30.77 71.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.95 55.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.489 ' O ' HD23 ' A' ' 32' ' ' LEU . 4.7 t -136.47 111.48 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.8 113.87 4.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 30' ' ' VAL . 4.1 mm? -116.57 165.18 13.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 m -122.6 108.93 13.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.619 HG22 HG12 ' A' ' 122' ' ' VAL . 84.8 t -112.96 121.79 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.413 ' HA ' ' CB ' ' A' ' 20' ' ' ARG . 4.5 m -72.39 -61.94 1.62 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.69 144.43 0.4 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.712 HG23 ' HB2' ' A' ' 120' ' ' LYS . 41.6 t -144.4 114.78 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 0.0 111.067 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.97 141.96 42.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.083 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.428 ' NE2' ' OG1' ' A' ' 16' ' ' THR . 5.9 tp60 -94.07 148.05 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.686 HG11 HG11 ' A' ' 68' ' ' VAL . 2.3 p -145.11 160.07 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.174 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.531 ' HG2' HD21 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -158.54 158.3 33.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.975 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.791 HD13 HD12 ' A' ' 112' ' ' ILE . 28.7 mm -84.12 149.13 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.472 ' SD ' ' N ' ' A' ' 113' ' ' GLU . 2.1 mpp? . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.916 0.389 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.41 -5.76 23.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.38 -34.54 72.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -90.55 -27.07 19.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -66.94 -26.48 66.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.574 ' HZ ' HD11 ' A' ' 112' ' ' ILE . 9.8 m-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.87 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -54.7 -48.93 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.478 ' H ' HD12 ' A' ' 64' ' ' ILE . 2.9 mp -52.28 -70.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -39.73 -48.19 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -60.54 -37.5 81.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 63' ' ' ASP . 65.0 t -64.64 -57.68 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.686 HG11 HG11 ' A' ' 40' ' ' VAL . 74.4 t -59.08 -35.37 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.7 tp -71.11 -38.41 72.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.981 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -57.58 -37.88 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 m -64.04 -53.97 41.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 99.1 mt -67.75 -58.41 4.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -45.55 -44.85 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.6 -60.36 9.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -47.71 -43.13 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.808 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.94 HD12 HG21 ' A' ' 99' ' ' VAL . 10.0 tp -45.55 -56.24 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -56.6 -43.93 80.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -55.59 -48.63 74.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.8 mm -70.28 -58.68 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.493 HD13 HG21 ' A' ' 24' ' ' VAL . 2.1 tt -39.86 -37.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.76 -58.71 9.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -76.31 1.14 16.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 111.174 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.691 HD12 ' CG1' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -101.43 118.41 36.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' VAL . 45.1 p -72.78 136.17 45.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.756 ' CG2' HG21 ' A' ' 26' ' ' THR . 18.3 t -37.73 -61.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -39.11 -63.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.403 ' HB2' ' CD1' ' A' ' 83' ' ' LEU . 78.9 mt-30 -46.53 -51.36 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.691 ' CG1' HD12 ' A' ' 83' ' ' LEU . 17.5 mt -48.63 -54.0 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -62.22 -54.29 43.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -39.56 -65.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.41 109.98 13.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -81.27 -46.67 14.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -48.66 -54.92 12.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -51.11 -49.53 60.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -45.78 -64.34 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -49.11 -54.45 16.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' ALA . 16.6 ttmm -35.48 -40.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.49 ' O ' HG12 ' A' ' 102' ' ' VAL . 7.7 mt -71.41 -47.34 56.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.94 HG21 HD12 ' A' ' 76' ' ' LEU . 46.4 t -58.34 -33.49 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.482 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 26.7 ptt180 -85.07 -29.39 24.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -71.87 -35.07 69.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 98' ' ' LEU . 7.1 p -81.65 -31.04 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -85.45 -35.64 21.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.766 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -36.26 -60.33 0.72 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 111.097 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.766 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.9 Cg_endo -69.75 -18.44 37.05 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' ALA . 5.6 t70 -77.41 -56.2 4.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.528 HG21 HG23 ' A' ' 114' ' ' ILE . 8.8 m -50.17 -42.14 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.92 -30.62 5.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.433 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -56.77 -56.44 21.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.482 ' CE ' HG12 ' A' ' 107' ' ' VAL . 10.0 ptt? -68.46 -33.38 74.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 120.77 28.1 1.79 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.791 HD12 HD13 ' A' ' 42' ' ' ILE . 29.7 mm -118.39 142.76 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.726 0.298 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.472 ' N ' ' SD ' ' A' ' 43' ' ' MET . 14.5 tt0 -118.61 127.98 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.72 ' O ' HD12 ' A' ' 114' ' ' ILE . 2.4 pp -77.57 130.96 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.531 HD21 ' HG2' ' A' ' 41' ' ' LYS . 67.5 mt -86.77 -57.23 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.9 m -153.33 149.25 27.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.491 ' CZ ' ' HG3' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -130.97 119.97 22.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.822 -179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.642 HG22 ' H ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER -133.23 175.96 8.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.642 ' H ' HG22 ' A' ' 118' ' ' THR . 15.2 mm -111.6 134.44 53.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.712 ' HB2' HG23 ' A' ' 37' ' ' VAL . 3.3 tppp? -88.09 -73.44 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -159.03 136.36 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.619 HG12 HG22 ' A' ' 34' ' ' VAL . 26.0 m -114.91 125.98 72.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -137.1 166.83 22.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 20.3 p-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.79 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.4 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.85 0.357 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.522 ' HG3' HG13 ' A' ' 40' ' ' VAL . 3.9 ptt? -131.18 134.16 46.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.9 m -86.79 105.18 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -98.89 121.02 40.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.512 ' HG2' HG22 ' A' ' 37' ' ' VAL . 70.2 mt-30 -104.0 97.44 11.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 54.3 Cg_endo -69.71 80.24 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.392 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -98.62 150.29 21.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.1 p -139.66 145.86 38.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 9.0 mm-40 -130.46 156.96 43.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.6 p-10 46.85 54.06 9.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 24' ' ' VAL . 32.6 m -116.72 84.89 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -42.18 135.49 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.631 HG21 HG23 ' A' ' 85' ' ' VAL . 1.4 p -74.27 -175.83 2.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.095 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.76 ' HB2' ' O ' ' A' ' 81' ' ' GLY . . . -58.15 -36.83 73.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.402 ' HG3' HG23 ' A' ' 30' ' ' VAL . 19.8 pt-20 -80.64 -47.66 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.7 49.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.422 ' O ' HD23 ' A' ' 32' ' ' LEU . 31.7 t -137.07 113.17 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.581 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -65.99 129.64 40.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 31' ' ' ALA . 4.0 mm? -126.5 163.42 23.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.7 m -119.48 102.57 8.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.941 HG22 HG12 ' A' ' 122' ' ' VAL . 71.9 t -108.14 111.22 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 m -64.61 -61.37 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.25 148.97 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.475 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.69 HG23 ' HB2' ' A' ' 120' ' ' LYS . 14.0 t -145.93 124.17 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 111.112 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.6 135.68 28.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.033 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -95.83 126.63 41.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.522 HG13 ' HG3' ' A' ' 15' ' ' MET . 8.1 p -127.06 162.68 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.513 ' N ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -155.31 155.1 33.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.4 mm -67.37 135.31 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.2 mtm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 52' ' ' ALA . 2.7 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.847 0.356 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.511 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -75.84 -43.62 44.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.9 m -49.0 -54.31 16.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.6 20.02 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -124.96 -24.08 4.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.527 ' HB3' HD11 ' A' ' 64' ' ' ILE . 23.3 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 67' ' ' VAL . 11.2 m-20 -45.46 -60.06 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.527 HD11 ' HB3' ' A' ' 56' ' ' PHE . 2.5 mp -36.76 -66.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 64' ' ' ILE . 12.8 mptt -36.21 -53.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -63.36 -42.88 98.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 63' ' ' ASP . 60.4 t -58.69 -59.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 112' ' ' ILE . 89.2 t -53.72 -30.86 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 47.6 tp -72.34 -43.31 64.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -53.11 -36.21 60.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.682 HG21 ' CG1' ' A' ' 107' ' ' VAL . 99.3 m -62.68 -59.84 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 103' ' ' ALA . 23.1 mt -66.85 -57.24 7.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -45.44 -50.43 12.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.51 -66.08 3.09 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -44.43 -47.09 9.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.798 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.004 HD12 HG21 ' A' ' 99' ' ' VAL . 12.4 tp -39.44 -55.79 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 77' ' ' ARG . 8.1 mtp-105 -48.82 -68.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 t -40.78 -42.78 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.6 mm -70.29 -36.8 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 80' ' ' LEU . 6.7 tt -69.74 -35.82 75.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.76 ' O ' ' HB2' ' A' ' 27' ' ' ALA . . . -60.35 -53.62 44.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.438 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 t -60.5 -20.34 59.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.342 . . . . 0.0 111.154 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.408 HD12 ' CD1' ' A' ' 95' ' ' PHE . 21.1 mt -99.92 145.81 27.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' VAL . 69.8 p -94.99 150.14 20.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.687 ' HA ' HD12 ' A' ' 88' ' ' ILE . 24.8 t -34.73 -65.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' GLN . 26.8 mt-10 -41.35 -69.01 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' GLU . 63.2 mt-30 -37.47 -53.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 85' ' ' VAL . 27.4 mt -47.95 -49.14 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.061 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 90' ' ' GLN . 38.6 m-85 -68.57 -50.64 50.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' TYR . 3.7 mm-40 -34.8 -64.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -130.7 117.9 20.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.574 ' HD2' HG21 ' A' ' 119' ' ' ILE . 10.0 mmt85 -79.92 -62.72 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.8 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -34.9 -56.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -49.34 -61.18 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CD1' HD12 ' A' ' 83' ' ' LEU . 10.8 t80 -40.92 -58.88 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.959 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.578 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -56.78 -50.48 72.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.405 ' O ' ' OE2' ' A' ' 101' ' ' GLU . 22.4 ttmt -40.92 -39.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.99 -41.24 74.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.004 HG21 HD12 ' A' ' 76' ' ' LEU . 42.3 t -62.72 -42.59 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 12.9 ptm180 -75.64 -36.27 60.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -63.98 -31.13 72.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 99' ' ' VAL . 12.2 p -87.84 -25.85 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.906 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -90.22 -21.8 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.759 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -55.45 -59.27 11.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.569 0.699 . . . . 0.0 111.083 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.759 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.6 Cg_endo -69.77 -15.0 36.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.588 2.192 . . . . 0.0 112.378 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.76 -63.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 103' ' ' ALA . 4.4 m -45.5 -35.24 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.87 -33.97 14.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 -55.82 -54.76 40.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.737 0.303 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.692 ' CE ' HG12 ' A' ' 107' ' ' VAL . 1.3 ptt? -66.52 -36.04 81.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 120.96 26.73 2.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.523 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.556 HG13 HG22 ' A' ' 68' ' ' VAL . 38.2 mm -115.76 140.1 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.798 0.333 . . . . 0.0 111.153 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -118.58 131.16 56.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.56 ' O ' HD12 ' A' ' 114' ' ' ILE . 2.5 pp -82.68 137.59 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.0 mt -95.87 -51.29 4.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.1 t -154.7 153.07 30.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.578 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -137.23 117.45 13.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.837 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.674 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.8 m -132.17 173.93 10.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.674 ' H ' HG22 ' A' ' 118' ' ' THR . 49.5 mm -109.61 122.16 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.115 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.69 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -73.8 -66.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -164.91 140.0 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.941 HG12 HG22 ' A' ' 34' ' ' VAL . 31.2 m -119.39 124.0 72.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -137.16 171.04 15.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.852 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.471 ' CG2' ' HG3' ' A' ' 39' ' ' GLN . 11.5 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.865 0.364 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.436 ' O ' HG12 ' A' ' 40' ' ' VAL . 2.5 mpp? -101.63 126.44 48.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.9 m -85.68 104.96 15.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.067 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.404 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 52.6 mt -112.05 113.27 25.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -100.6 99.28 9.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.551 0.691 . . . . 0.0 110.951 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.8 Cg_endo -69.75 95.64 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.527 ' HE ' HG23 ' A' ' 35' ' ' THR . 10.0 ttm180 -107.41 138.48 43.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.507 ' SG ' HG11 ' A' ' 24' ' ' VAL . 1.3 t -129.22 144.93 51.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -129.78 142.02 50.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.92 53.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 24' ' ' VAL . 29.9 m -118.88 100.21 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -60.76 132.2 53.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.572 HG21 ' HB ' ' A' ' 85' ' ' VAL . 48.4 p -76.03 172.23 13.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.19 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.476 ' CA ' ' O ' ' A' ' 81' ' ' GLY . . . -34.52 -63.47 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.071 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HG3' HG23 ' A' ' 30' ' ' VAL . 7.3 pt-20 -56.16 -52.12 65.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 141.83 44.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.522 HG12 HD22 ' A' ' 32' ' ' LEU . 88.3 t -120.63 116.88 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 111.078 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.13 118.34 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD22 HG12 ' A' ' 30' ' ' VAL . 3.1 mm? -118.87 160.78 21.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.795 HG21 ' CZ ' ' A' ' 123' ' ' TYR . 21.4 m -119.76 101.73 8.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.811 HG22 HG12 ' A' ' 122' ' ' VAL . 58.3 t -108.31 122.74 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.527 HG23 ' HE ' ' A' ' 20' ' ' ARG . 89.6 m -72.87 -48.09 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.7 146.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 6.0 t -151.36 124.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.26 160.43 40.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.471 ' HG3' ' CG2' ' A' ' 14' ' ' ILE . 5.5 tp60 -114.46 147.63 39.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 15' ' ' MET . 8.9 p -146.67 159.31 10.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 40' ' ' VAL . 32.0 pttt -149.51 155.25 40.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.73 HD13 HD12 ' A' ' 112' ' ' ILE . 37.3 mm -79.82 117.28 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.6 mtt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.807 179.838 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.805 0.336 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.02 16.3 21.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.0 m -94.26 -12.69 27.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.86 -16.17 7.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 56' ' ' PHE . 2.0 pt20 -66.73 -13.14 61.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CD1' HG13 ' A' ' 64' ' ' ILE . 22.5 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.852 0.358 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.23 -48.29 80.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.571 HG13 ' CD1' ' A' ' 56' ' ' PHE . 3.3 mp -49.02 -69.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' ILE . 2.9 mptt -34.79 -44.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -63.22 -45.27 92.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' ILE . 88.0 t -55.95 -55.8 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.1 -48.21 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 tp -56.82 -34.96 68.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -61.51 -50.13 73.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.3 m -48.14 -48.49 34.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.555 HD23 ' CB ' ' A' ' 103' ' ' ALA . 70.2 mt -71.68 -37.97 70.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 74' ' ' GLY . 16.3 mt-10 -63.84 -67.15 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -35.74 -50.33 1.07 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.445 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' LEU . 52.3 m-70 -63.05 -45.79 90.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.359 . . . . 0.0 110.827 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.603 HD12 HG21 ' A' ' 99' ' ' VAL . 6.5 tp -36.84 -65.19 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -50.42 -52.62 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 m -51.08 -35.97 37.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.1 mm -79.32 -38.75 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.512 ' CD2' HG22 ' A' ' 26' ' ' THR . 1.9 tt -66.46 -32.27 73.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.476 ' O ' ' CA ' ' A' ' 27' ' ' ALA . . . -66.68 -57.09 10.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.543 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 t -56.74 -30.9 64.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.792 0.33 . . . . 0.0 111.082 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.456 HD11 ' HG ' ' A' ' 98' ' ' LEU . 12.1 mt -92.74 138.35 31.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 76.0 p -73.54 153.32 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.947 ' HA ' HD12 ' A' ' 88' ' ' ILE . 1.0 OUTLIER -53.54 -48.64 58.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.59 -54.11 37.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -47.9 -45.34 30.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.947 HD12 ' HA ' ' A' ' 85' ' ' VAL . 19.1 mt -52.6 -53.55 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' GLN . 38.8 m-85 -61.9 -56.29 20.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' TYR . 6.6 mm-40 -35.48 -64.19 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -127.78 83.58 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -53.25 -43.85 67.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -51.04 -41.24 59.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.495 ' O ' HD23 ' A' ' 98' ' ' LEU . 49.4 tp60 -55.02 -69.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -40.26 -48.26 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.579 ' HB1' ' HD1' ' A' ' 117' ' ' PHE . . . -53.79 -40.82 66.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -69.82 -43.41 72.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 94' ' ' GLN . 3.5 mm? -47.21 -37.51 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.643 ' O ' HG12 ' A' ' 102' ' ' VAL . 2.1 t -76.32 -65.13 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 13.1 ptt180 -48.3 -23.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -74.91 -37.22 62.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 99' ' ' VAL . 10.2 p -85.4 -26.23 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.12 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.555 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -84.56 -46.39 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.793 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.68 -60.62 0.43 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.496 0.665 . . . . 0.0 111.066 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.0 Cg_endo -69.78 -22.22 32.29 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.73 2.287 . . . . 0.0 112.372 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 103' ' ' ALA . 5.5 t0 -74.41 -59.56 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.627 HG21 HG23 ' A' ' 114' ' ' ILE . 24.0 m -54.55 -21.49 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.53 -40.94 99.27 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.593 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.7 mtt-85 -58.8 -39.94 82.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.3 mtm -72.69 -43.75 62.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.11 24.36 1.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.73 HD12 HD13 ' A' ' 42' ' ' ILE . 46.7 mm -121.87 141.3 42.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.725 0.298 . . . . 0.0 111.116 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -114.75 136.87 52.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.627 HG23 HG21 ' A' ' 107' ' ' VAL . 1.9 pp -91.69 143.5 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 115' ' ' LEU . 2.9 mm? -89.81 -51.83 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.9 t -166.29 173.96 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.579 ' HD1' ' HB1' ' A' ' 96' ' ' ALA . 3.7 t80 -144.95 134.42 23.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.649 HG22 ' H ' ' A' ' 119' ' ' ILE . 3.7 m -150.25 171.33 17.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.649 ' H ' HG22 ' A' ' 118' ' ' THR . 14.9 mm -103.47 140.85 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 27.3 tttm -97.02 -53.39 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -166.2 135.74 3.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.811 HG12 HG22 ' A' ' 34' ' ' VAL . 34.0 m -128.21 125.07 63.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.795 ' CZ ' HG21 ' A' ' 33' ' ' THR . 34.1 p90 -137.35 174.47 10.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.6 t0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.783 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 40' ' ' VAL . 56.0 mt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.802 0.334 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.416 ' O ' HG12 ' A' ' 40' ' ' VAL . 56.6 mtm -123.06 139.7 53.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.479 HG23 ' OE1' ' A' ' 39' ' ' GLN . 21.9 m -99.92 105.35 17.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.53 HD13 ' CG1' ' A' ' 40' ' ' VAL . 10.8 mp -111.01 119.88 40.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -102.43 97.44 8.84 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.962 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 53.9 Cg_endo -69.75 107.02 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -117.54 157.23 26.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -143.89 134.48 24.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.807 ' HG2' HG23 ' A' ' 33' ' ' THR . 69.0 mt-10 -129.58 143.55 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t70 65.84 51.69 1.36 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 24' ' ' VAL . 18.0 m -120.93 100.66 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.89 132.4 53.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.531 HG21 ' CG2' ' A' ' 85' ' ' VAL . 2.2 p -71.7 -175.89 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 81' ' ' GLY . . . -59.58 -38.06 80.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -76.46 -42.19 44.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.66 54.71 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.523 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.426 HG12 ' CD2' ' A' ' 32' ' ' LEU . 47.8 t -142.88 119.5 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 111.129 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.564 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -70.33 125.01 25.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 31' ' ' ALA . 4.2 mm? -126.68 161.89 27.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.844 HG21 ' CE2' ' A' ' 123' ' ' TYR . 25.0 m -120.71 125.79 48.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.544 HG13 HG22 ' A' ' 122' ' ' VAL . 57.5 t -130.51 112.75 23.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.9 m -57.19 -58.63 7.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.73 133.66 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.8 t -138.97 120.34 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.843 0.354 . . . . 0.0 111.052 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.38 131.92 27.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.479 ' OE1' HG23 ' A' ' 16' ' ' THR . 8.6 tp60 -87.55 142.37 27.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.543 HG22 ' N ' ' A' ' 41' ' ' LYS . 7.8 p -138.49 165.42 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.543 ' N ' HG22 ' A' ' 40' ' ' VAL . 4.5 pttm -157.05 138.82 14.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.493 HD13 HD12 ' A' ' 112' ' ' ILE . 45.9 mm -63.49 129.98 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.3 mtm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.824 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.87 0.367 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.605 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -111.99 -35.05 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.3 t -41.16 -68.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.59 -42.77 99.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -48.89 -40.48 30.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.605 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 24.2 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.758 0.313 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 67' ' ' VAL . 48.1 t0 -39.27 -55.81 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.734 ' H ' HD12 ' A' ' 64' ' ' ILE . 5.3 mp -41.51 -67.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' ILE . 70.8 mttt -36.53 -41.7 0.31 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -76.49 -38.79 54.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 64' ' ' ILE . 78.9 t -60.85 -58.18 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.28 -38.86 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.18 -48.49 81.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -55.85 -32.87 64.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 86.7 m -60.79 -63.4 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.5 mt -62.3 -41.62 98.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -57.79 -62.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.66 -49.49 4.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.417 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -59.57 -44.1 93.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.949 HD12 HG21 ' A' ' 99' ' ' VAL . 8.3 tp -48.6 -54.11 15.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.543 ' HG2' HG11 ' A' ' 24' ' ' VAL . 36.3 mtm-85 -46.8 -59.76 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -53.67 -54.65 34.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.3 mm -53.17 -33.04 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 tt -75.08 -42.13 57.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.742 ' O ' ' HB2' ' A' ' 27' ' ' ALA . . . -55.19 -58.32 14.32 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.518 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.46 HG23 ' HG ' ' A' ' 83' ' ' LEU . 8.8 t -52.87 -26.64 15.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.172 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.46 ' HG ' HG23 ' A' ' 82' ' ' THR . 75.9 mt -97.39 143.61 27.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.607 HG22 ' HB3' ' A' ' 27' ' ' ALA . 72.1 p -90.75 154.17 19.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.755 ' HA ' HD12 ' A' ' 88' ' ' ILE . 50.8 t -41.06 -44.07 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -57.67 -57.47 12.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -52.19 -43.93 64.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 85' ' ' VAL . 74.0 mt -50.97 -62.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' GLN . 59.0 m-85 -61.0 -49.59 76.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' TYR . 13.7 mt-30 -35.97 -65.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.52 105.51 8.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.82 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.4 mtt85 -78.76 -49.89 12.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -46.15 -51.19 14.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 97' ' ' LYS . 20.4 tt0 -59.64 -55.98 27.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -40.5 -46.58 2.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.96 -36.17 77.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 94' ' ' GLN . 16.9 ttmm -61.23 -47.23 87.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.7 mp -53.57 -24.16 12.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.949 HG21 HD12 ' A' ' 76' ' ' LEU . 43.6 t -83.37 -63.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.227 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 3.6 ptp180 -52.11 -28.32 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 5.5 mm-40 -72.04 -50.59 27.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 99' ' ' VAL . 12.7 p -70.24 -26.01 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -85.51 -42.8 14.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.37 -60.56 0.41 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.575 0.702 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.7 Cg_endo -69.74 -23.72 30.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.743 2.295 . . . . 0.0 112.286 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 103' ' ' ALA . 22.4 t0 -72.81 -59.08 2.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.479 HG12 ' CE ' ' A' ' 110' ' ' MET . 6.9 m -46.59 -44.18 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -38.79 -31.01 0.11 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.551 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 21.9 mtp85 -57.21 -56.75 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.504 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 4.5 ptt? -70.16 -33.03 71.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 114.97 35.78 1.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.421 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.493 HD12 HD13 ' A' ' 42' ' ' ILE . 31.4 mm -122.43 139.74 48.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.817 0.342 . . . . 0.0 111.091 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -114.01 132.13 56.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.433 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.1 pp -81.15 141.35 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.8 mt -99.75 -45.13 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.8 m -168.48 150.62 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -133.37 103.53 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 119' ' ' ILE . 3.2 m -121.73 166.49 14.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.502 ' H ' HG22 ' A' ' 118' ' ' THR . 31.7 mm -97.0 149.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.68 -73.87 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -139.15 155.35 47.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.544 HG22 HG13 ' A' ' 34' ' ' VAL . 93.8 t -146.11 125.83 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.844 ' CE2' HG21 ' A' ' 33' ' ' THR . 3.9 p90 -133.89 173.84 11.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.6 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.8 0.333 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -104.32 133.9 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 m -91.8 104.1 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.708 HD22 HG11 ' A' ' 40' ' ' VAL . 7.7 mp -107.08 123.83 48.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.478 ' OE1' ' N ' ' A' ' 18' ' ' GLN . 15.6 mp0 -101.98 97.51 8.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 110.981 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 85.07 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -101.53 140.7 35.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.581 ' SG ' HD23 ' A' ' 76' ' ' LEU . 73.3 m -134.26 111.05 9.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.498 ' OE2' ' N ' ' A' ' 23' ' ' ASP . 2.6 tp10 -103.44 149.73 24.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.498 ' N ' ' OE2' ' A' ' 22' ' ' GLU . 69.7 m-20 64.77 54.72 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.639 HG21 HD13 ' A' ' 80' ' ' LEU . 16.3 m -122.53 92.01 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HA ' ' N ' ' A' ' 31' ' ' ALA . 30.7 mt-10 -50.34 127.39 17.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.659 HG21 ' HB ' ' A' ' 85' ' ' VAL . 60.5 p -71.61 -175.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.74 -50.14 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 12.0 pt-20 -69.55 -38.16 77.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.472 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 122.26 51.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.591 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' ALA . 53.3 t -132.08 90.95 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.204 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -34.26 120.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.591 HD21 HG23 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -117.12 139.66 50.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.453 ' H ' HD13 ' A' ' 32' ' ' LEU . 1.7 m -101.31 113.99 27.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.701 HG13 HG22 ' A' ' 122' ' ' VAL . 65.9 t -123.9 117.74 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.9 m -70.03 -59.69 2.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.19 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.68 139.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.453 HG23 ' HB2' ' A' ' 120' ' ' LYS . 15.8 t -143.25 119.58 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 111.099 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.76 156.2 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -107.58 134.43 50.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.708 HG11 HD22 ' A' ' 17' ' ' LEU . 7.4 p -133.68 149.8 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' CE ' ' OE2' ' A' ' 113' ' ' GLU . 9.1 pttt -144.13 149.1 35.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.698 HD13 ' CD1' ' A' ' 112' ' ' ILE . 4.5 mm -70.76 125.13 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.1 mtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.865 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.819 0.342 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.469 ' O ' ' CD2' ' A' ' 56' ' ' PHE . . . -105.23 -11.05 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.33 -68.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.54 -24.59 32.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -75.8 -25.24 56.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.469 ' CD2' ' O ' ' A' ' 52' ' ' ALA . 10.5 m-30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.799 0.333 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.8 -61.07 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.508 ' H ' HD12 ' A' ' 64' ' ' ILE . 3.0 mp -39.96 -61.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -46.76 -44.71 19.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -63.12 -61.58 2.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.8 t -40.76 -50.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.621 HG22 HG13 ' A' ' 112' ' ' ILE . 60.6 t -65.9 -56.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.3 tp -45.98 -34.75 4.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 71' ' ' THR . 85.6 mt-30 -58.24 -64.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 70' ' ' GLN . 11.9 m -37.41 -61.37 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.502 HD23 ' CB ' ' A' ' 103' ' ' ALA . 70.5 mt -59.65 -44.79 93.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 76' ' ' LEU . 11.8 mt-10 -58.25 -69.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -37.05 -50.45 1.55 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.573 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.415 ' CG ' HG13 ' A' ' 102' ' ' VAL . 70.2 m-70 -60.44 -37.8 82.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.687 HD12 HG21 ' A' ' 99' ' ' VAL . 5.0 tp -57.31 -50.59 72.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -59.1 -43.91 91.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 t -66.46 -39.04 88.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' A' ' 98' ' ' LEU . 24.0 mm -73.55 -29.26 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.639 HD13 HG21 ' A' ' 24' ' ' VAL . 6.5 tt -76.49 -58.93 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -43.95 -52.66 6.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.3 t -60.53 -31.77 70.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 111.088 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.57 159.44 24.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.6 p -97.1 133.16 42.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.659 ' HB ' HG21 ' A' ' 26' ' ' THR . 1.7 p -40.54 -49.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -52.07 -59.26 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -44.02 -54.93 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 71.7 mt -41.04 -63.14 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -51.98 -44.46 64.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -56.24 -68.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.27 110.87 18.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' ASP . 31.2 mtt180 -83.24 -57.0 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 92' ' ' ARG . 4.1 m-20 -37.09 -52.77 1.0 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.411 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 17.5 tp60 -51.21 -56.09 14.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.564 ' O ' HG23 ' A' ' 99' ' ' VAL . 21.3 t80 -54.93 -43.68 73.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.784 ' HB2' HG12 ' A' ' 119' ' ' ILE . . . -68.39 -19.26 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -84.14 -50.17 8.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.522 ' HB3' HD12 ' A' ' 79' ' ' ILE . 8.4 mp -52.1 -18.78 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.687 HG21 HD12 ' A' ' 76' ' ' LEU . 18.8 t -92.63 -49.68 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 17.8 ptt180 -67.13 -19.69 65.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 18.4 pt-20 -84.56 -39.2 19.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' A' ' 103' ' ' ALA . 2.0 p -76.51 -39.62 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.502 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -73.84 -33.55 64.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.806 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -44.97 -60.87 2.66 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.549 0.69 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.2 Cg_endo -69.73 -1.77 9.01 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -95.53 -57.95 2.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.585 HG12 ' CE ' ' A' ' 110' ' ' MET . 14.2 m -52.93 -25.41 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.55 -6.23 10.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -84.58 -42.06 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.585 ' CE ' HG12 ' A' ' 107' ' ' VAL . 8.1 ptt? -80.39 -32.68 37.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 123.7 12.04 4.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.698 ' CD1' HD13 ' A' ' 42' ' ' ILE . 26.8 mm -103.64 148.25 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 111.194 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.415 ' OE2' ' CE ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -126.46 141.85 51.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.48 ' C ' HD12 ' A' ' 114' ' ' ILE . 1.9 pp -93.13 142.41 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 58.0 mt -97.25 -51.36 4.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.3 t -159.45 164.58 34.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.447 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -139.49 125.78 20.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.4 160.14 38.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.784 HG12 ' HB2' ' A' ' 96' ' ' ALA . 9.5 mm -103.28 105.59 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.453 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -64.93 -74.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.822 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -137.34 150.76 47.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.81 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.701 HG22 HG13 ' A' ' 34' ' ' VAL . 38.8 t -144.78 105.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -129.66 163.43 26.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.486 ' CG2' ' HG2' ' A' ' 39' ' ' GLN . 46.0 mt . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -106.4 134.36 49.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -92.06 106.09 18.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 69' ' ' LEU . 10.3 mp -110.19 120.55 42.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.487 ' OE1' ' N ' ' A' ' 18' ' ' GLN . 0.7 OUTLIER -104.21 97.51 11.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.56 0.695 . . . . 0.0 110.921 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.9 Cg_endo -69.67 89.79 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.743 2.296 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -101.18 140.95 34.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.0 m -140.94 135.0 30.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -128.94 155.18 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.5 t70 67.9 50.98 0.8 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.754 HG21 HD13 ' A' ' 80' ' ' LEU . 26.8 m -122.71 93.55 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -52.11 127.54 21.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.435 HG21 HG23 ' A' ' 85' ' ' VAL . 10.6 p -69.4 -177.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.424 ' CA ' ' O ' ' A' ' 81' ' ' GLY . . . -48.2 -56.54 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.49 ' HG3' HG23 ' A' ' 30' ' ' VAL . 6.4 pt-20 -64.57 -48.42 75.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.38 54.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.49 HG23 ' HG3' ' A' ' 28' ' ' GLU . 21.4 t -134.76 110.54 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.414 ' HA ' ' C ' ' A' ' 24' ' ' VAL . . . -68.05 116.71 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.073 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.556 ' CD2' HG22 ' A' ' 85' ' ' VAL . 3.3 mm? -112.42 165.48 12.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 m -126.1 107.24 10.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.2 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.922 HG22 HG12 ' A' ' 122' ' ' VAL . 53.5 t -109.31 111.33 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.9 m -59.28 -48.82 80.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.48 142.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.525 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.406 HG22 ' CG ' ' A' ' 18' ' ' GLN . 20.6 t -149.67 107.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.093 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 116' ' ' SER . . . -126.98 151.33 48.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.486 ' HG2' ' CG2' ' A' ' 14' ' ' ILE . 7.5 tt0 -106.91 128.39 54.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.432 HG22 ' N ' ' A' ' 41' ' ' LYS . 9.9 p -123.93 159.73 28.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.047 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.566 ' HG2' HD21 ' A' ' 115' ' ' LEU . 25.8 pttt -149.95 146.42 27.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.449 HD13 HD12 ' A' ' 112' ' ' ILE . 27.7 mm -67.68 124.19 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.1 mtm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.85 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 52' ' ' ALA . 4.2 p . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.872 0.367 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.775 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -100.88 -31.23 11.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.136 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -38.72 -61.97 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -71.65 -38.5 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -52.77 -34.59 53.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.775 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 24.2 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -42.84 -63.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.2 mp -42.58 -61.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -42.77 -45.12 4.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -66.6 -47.85 71.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.8 t -52.76 -58.42 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.1 -57.42 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 17' ' ' LEU . 8.9 tp -45.26 -46.52 12.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -57.75 -44.44 86.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.421 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 23.1 m -48.57 -62.37 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.47 HD23 ' HB1' ' A' ' 103' ' ' ALA . 69.0 mt -59.42 -48.56 81.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -47.85 -60.27 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -41.69 -57.74 3.26 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.421 ' CD2' ' O ' ' A' ' 71' ' ' THR . 96.9 m-70 -51.24 -44.64 61.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.808 HD12 HG21 ' A' ' 99' ' ' VAL . 11.5 tp -44.39 -47.03 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.3 tmm_? -57.98 -69.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.782 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -38.24 -60.97 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.4 mm -52.09 -34.96 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.754 HD13 HG21 ' A' ' 24' ' ' VAL . 5.8 tt -69.41 -53.95 16.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.424 ' O ' ' CA ' ' A' ' 27' ' ' ALA . . . -45.88 -55.99 6.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 t -60.65 -21.7 63.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 0.0 111.133 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.822 HD23 ' CG1' ' A' ' 88' ' ' ILE . 7.4 tp -91.02 156.68 17.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 67.5 p -104.25 144.08 32.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.556 HG22 ' CD2' ' A' ' 32' ' ' LEU . 4.6 t -38.82 -46.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -55.11 -67.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -39.95 -54.34 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.822 ' CG1' HD23 ' A' ' 83' ' ' LEU . 78.2 mt -45.91 -54.39 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' GLN . 34.0 m-85 -64.8 -63.81 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' TYR . 25.7 mm100 -36.75 -59.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -122.2 112.78 18.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -85.87 -43.15 13.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.28 -59.99 3.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.409 HE21 HD11 ' A' ' 98' ' ' LEU . 44.8 tp60 -42.59 -63.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.424 ' CD1' HD22 ' A' ' 83' ' ' LEU . 20.5 t80 -40.12 -60.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.788 ' HB2' HD13 ' A' ' 119' ' ' ILE . . . -52.81 -63.18 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' ALA . 15.5 ttmm -35.71 -51.15 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.409 HD11 HE21 ' A' ' 94' ' ' GLN . 6.3 mp -53.8 -41.27 67.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.808 HG21 HD12 ' A' ' 76' ' ' LEU . 42.3 t -63.66 -55.15 24.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.179 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.488 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 9.2 ptt180 -62.44 -24.81 67.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 53.0 mt-10 -73.86 -46.51 44.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 p -73.77 -24.45 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.187 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -85.62 -44.24 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -34.27 -60.61 0.48 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.589 0.709 . . . . 0.0 111.07 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.782 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.2 Cg_endo -69.84 -21.58 32.91 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.618 2.212 . . . . 0.0 112.307 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 103' ' ' ALA . 11.9 t70 -74.89 -59.87 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.413 HG21 HG23 ' A' ' 114' ' ' ILE . 17.5 m -46.52 -36.2 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.16 -34.26 12.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -53.33 -57.16 11.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.723 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 10.8 ptt? -67.99 -33.59 74.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.03 33.84 1.45 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.449 HD12 HD13 ' A' ' 42' ' ' ILE . 50.7 mm -121.48 142.25 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 111.132 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -114.96 134.61 55.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.443 ' C ' HD12 ' A' ' 114' ' ' ILE . 1.9 pp -85.19 151.29 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.566 HD21 ' HG2' ' A' ' 41' ' ' LYS . 67.7 mt -106.29 -45.71 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.423 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 5.6 t -168.28 160.44 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.488 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 1.5 t80 -140.78 121.51 14.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.451 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.9 m -133.4 165.28 25.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.788 HD13 ' HB2' ' A' ' 96' ' ' ALA . 0.3 OUTLIER -106.18 114.84 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -67.81 -65.29 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -160.23 137.0 9.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.922 HG12 HG22 ' A' ' 34' ' ' VAL . 33.2 m -118.79 125.44 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -136.85 164.3 28.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.535 HG22 ' NE2' ' A' ' 39' ' ' GLN . 54.5 mt . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.786 0.327 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.548 ' CG ' HG13 ' A' ' 40' ' ' VAL . 13.1 ptt? -98.76 126.5 44.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.439 HG22 HE22 ' A' ' 18' ' ' GLN . 87.0 m -80.34 114.36 19.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.62 HD12 HG11 ' A' ' 40' ' ' VAL . 57.5 mt -124.63 110.91 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -103.55 96.74 9.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.6 Cg_endo -69.74 114.81 3.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.274 . . . . 0.0 112.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HG2' HG23 ' A' ' 35' ' ' THR . 20.1 mtm180 -104.98 158.55 16.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -144.39 107.92 4.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.655 ' HB3' HG23 ' A' ' 33' ' ' THR . 12.9 pt-20 -116.33 155.12 29.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.56 44.81 14.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 24' ' ' VAL . 27.5 m -116.11 106.46 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.11 117.18 5.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 30' ' ' VAL . 32.1 p -62.13 -175.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.191 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.98 -51.93 53.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -70.86 -36.2 72.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.454 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 126.6 51.05 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.441 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.748 HG12 ' CD2' ' A' ' 32' ' ' LEU . 92.3 t -126.1 113.38 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 111.141 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.09 111.83 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.748 ' CD2' HG12 ' A' ' 30' ' ' VAL . 4.2 mm? -114.32 164.74 13.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.655 HG23 ' HB3' ' A' ' 22' ' ' GLU . 6.8 m -129.12 101.62 6.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.435 HG22 HG23 ' A' ' 122' ' ' VAL . 59.1 t -111.04 107.84 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.422 HG23 ' HG2' ' A' ' 20' ' ' ARG . 91.2 m -57.05 -48.55 78.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.194 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.5 139.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.514 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.65 HG23 ' HB2' ' A' ' 120' ' ' LYS . 18.0 t -137.8 142.52 35.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 111.143 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.62 166.65 30.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.535 ' NE2' HG22 ' A' ' 14' ' ' ILE . 5.2 mm100 -116.97 145.35 43.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.62 HG11 HD12 ' A' ' 17' ' ' LEU . 7.6 p -147.99 158.57 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.447 ' N ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -147.5 161.03 41.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.67 HD13 HD12 ' A' ' 112' ' ' ILE . 41.6 mm -91.19 93.95 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.572 ' HE2' ' C ' ' A' ' 112' ' ' ILE . 12.1 mtm . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.536 HG13 ' N ' ' A' ' 52' ' ' ALA . 6.7 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.827 0.346 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.806 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -108.72 -22.16 12.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.27 -60.78 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.813 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -72.65 -34.14 67.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -58.26 -26.69 63.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.806 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 23.8 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.693 ' O ' HG23 ' A' ' 67' ' ' VAL . 8.8 t0 -52.24 -49.32 64.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.656 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.5 mp -64.02 -64.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' ILE . 34.9 mtpt -36.99 -40.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -68.65 -59.27 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 63' ' ' ASP . 56.6 t -41.75 -52.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.608 HG11 HG21 ' A' ' 40' ' ' VAL . 60.5 t -64.83 -56.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tp -46.31 -38.57 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -54.22 -60.7 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.513 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 87.6 m -39.12 -56.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.61 -58.39 7.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -39.4 -62.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.4 -55.07 9.47 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.513 ' CD2' ' O ' ' A' ' 71' ' ' THR . 75.0 m-70 -51.26 -50.44 59.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.792 0.329 . . . . 0.0 110.839 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.976 HD12 HG21 ' A' ' 99' ' ' VAL . 10.5 tp -48.34 -43.5 33.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.526 ' HG3' HG11 ' A' ' 24' ' ' VAL . 25.1 ttm180 -65.05 -40.05 94.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.9 t -66.88 -59.7 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.1 mm -49.37 -40.2 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.3 -51.63 55.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -43.58 -52.17 6.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.8 t -68.31 -18.76 64.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.42 HD23 ' CG1' ' A' ' 88' ' ' ILE . 7.0 tp -93.57 141.7 28.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.8 p -80.48 139.25 36.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.659 ' HA ' HD12 ' A' ' 88' ' ' ILE . 7.4 p -43.49 -33.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -71.45 -47.8 53.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -55.1 -43.31 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 85' ' ' VAL . 53.9 mt -51.61 -40.88 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' GLN . 30.4 m-85 -72.91 -51.57 18.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 89' ' ' TYR . 5.9 mm-40 -33.92 -63.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.66 105.51 4.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 94' ' ' GLN . 77.3 mtt180 -72.4 -57.54 4.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' ARG . 1.6 m-20 -37.52 -31.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 92' ' ' ARG . 57.6 tp60 -77.98 -47.75 17.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 92' ' ' ARG . 6.6 t80 -55.75 -50.22 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.867 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -65.7 -41.52 92.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -50.06 -35.02 23.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.562 ' O ' HG12 ' A' ' 102' ' ' VAL . 5.0 mp -70.52 -35.13 73.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.976 HG21 HD12 ' A' ' 76' ' ' LEU . 37.7 t -66.11 -43.36 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 24.3 ptt180 -75.95 -26.29 56.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -74.55 -41.59 60.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 98' ' ' LEU . 9.3 p -77.7 -25.07 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 104' ' ' ALA . . . -90.11 -47.2 7.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.765 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -29.32 -59.07 0.25 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.634 0.731 . . . . 0.0 111.1 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.765 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.3 Cg_endo -69.81 -34.12 15.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 103' ' ' ALA . 2.8 t70 -63.09 -53.17 57.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 108' ' ' GLY . 15.9 m -59.14 -48.06 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.492 ' N ' HG23 ' A' ' 107' ' ' VAL . . . -36.13 -48.76 1.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -44.95 -50.27 10.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.9 mtm -68.13 -41.61 81.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 125.53 31.16 0.85 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.67 HD12 HD13 ' A' ' 42' ' ' ILE . 50.6 mm -121.93 136.16 59.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.311 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.403 ' N ' ' HE2' ' A' ' 43' ' ' MET . 21.9 tt0 -113.18 137.16 51.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.68 ' O ' HD12 ' A' ' 114' ' ' ILE . 2.4 pp -94.66 128.94 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 115' ' ' LEU . 1.7 mm? -74.22 -51.26 15.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.976 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.7 m -165.08 -178.25 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.867 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 2.2 t80 -148.42 149.51 31.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -165.22 164.57 20.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 48.1 mm -103.17 114.68 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.65 ' HB2' HG23 ' A' ' 37' ' ' VAL . 3.0 tppt? -68.37 -68.14 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -152.15 145.69 24.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.435 HG23 HG22 ' A' ' 34' ' ' VAL . 2.4 p -131.48 119.85 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -137.13 155.08 50.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.9 mt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.847 0.356 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.57 ' HE2' HD12 ' A' ' 42' ' ' ILE . 3.0 ptt? -129.09 132.56 47.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.559 HG22 ' OE1' ' A' ' 18' ' ' GLN . 20.3 m -96.49 109.73 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -111.76 125.38 53.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.559 ' OE1' HG22 ' A' ' 16' ' ' THR . 1.1 mp0 -105.06 97.49 13.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.676 0.75 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.9 Cg_endo -69.68 96.75 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.776 2.318 . . . . 0.0 112.368 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 ptt-85 -108.42 140.21 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.809 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.766 ' HB2' HD23 ' A' ' 76' ' ' LEU . 50.5 m -143.31 113.79 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' HB3' HG23 ' A' ' 33' ' ' THR . 11.3 pt-20 -106.55 155.85 19.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.781 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 18.8 t70 67.63 45.77 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.816 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.866 HG12 ' HD2' ' A' ' 77' ' ' ARG . 34.5 m -104.76 109.3 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.08 105.97 1.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.599 HG21 ' CG2' ' A' ' 85' ' ' VAL . 71.6 p -56.64 -176.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 81' ' ' GLY . . . -52.91 -47.22 68.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.435 ' HG3' HG23 ' A' ' 30' ' ' VAL . 9.7 pt-20 -65.86 -40.79 92.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.47 50.23 0.2 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.516 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.435 HG23 ' HG3' ' A' ' 28' ' ' GLU . 22.1 t -132.69 125.92 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 0.0 111.077 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 23' ' ' ASP . . . -71.43 123.48 22.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.473 HD22 ' O ' ' A' ' 31' ' ' ALA . 2.4 mm? -121.07 165.86 14.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.41 HG23 ' HB3' ' A' ' 22' ' ' GLU . 2.9 m -122.18 114.72 21.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.198 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.5 t -124.79 110.79 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.5 m -60.45 -54.17 48.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.93 142.83 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.419 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.463 HG23 ' HB2' ' A' ' 120' ' ' LYS . 18.6 t -146.96 118.1 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.99 153.16 48.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.46 ' HG2' HD22 ' A' ' 115' ' ' LEU . 7.1 tt0 -105.21 152.1 23.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.529 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 7.1 p -155.59 158.22 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.669 ' CG ' HD11 ' A' ' 115' ' ' LEU . 4.5 ptmt -158.72 148.58 19.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.57 HD12 ' HE2' ' A' ' 15' ' ' MET . 1.1 mp -67.97 138.29 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.517 ' O ' HG22 ' A' ' 42' ' ' ILE . 25.1 mtt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.822 0.344 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.518 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -121.32 19.82 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -88.97 -34.47 16.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -106.26 -22.6 12.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.485 ' OE1' ' CB ' ' A' ' 110' ' ' MET . 2.9 tt0 -68.62 -27.82 66.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.518 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 22.8 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.777 0.322 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.58 -56.41 19.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 64' ' ' ILE . 2.6 mp -38.5 -66.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -44.76 -41.57 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 67' ' ' VAL . 6.5 m-80 -68.76 -66.64 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' ASN . 57.8 t -35.24 -49.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.37 -48.71 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.3 tp -55.58 -52.32 64.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -48.89 -43.87 39.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 48.1 m -51.66 -63.99 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.431 HD23 ' CB ' ' A' ' 103' ' ' ALA . 68.3 mt -58.71 -47.97 82.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -51.53 -68.78 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.42 -39.09 1.07 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.568 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -70.64 -42.9 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.371 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.766 HD23 ' HB2' ' A' ' 21' ' ' CYS . 8.2 tp -43.87 -53.45 6.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.866 ' HD2' HG12 ' A' ' 24' ' ' VAL . 28.6 ttt-85 -65.83 -64.45 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 77' ' ' ARG . 1.8 m -36.22 -47.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' LEU . 11.1 mm -73.41 -56.01 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.764 HD13 HG21 ' A' ' 24' ' ' VAL . 7.9 tt -35.87 -42.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.525 ' O ' ' HB2' ' A' ' 27' ' ' ALA . . . -56.91 -45.56 91.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 79' ' ' ILE . 69.7 p -50.25 -32.42 16.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 111.219 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.4 mt -97.24 167.46 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 85' ' ' VAL . 68.4 p -105.55 149.06 26.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.599 ' CG2' HG21 ' A' ' 26' ' ' THR . 19.0 t -36.59 -48.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -56.4 -69.52 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -39.41 -57.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 85' ' ' VAL . 71.1 mt -39.93 -49.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.212 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.581 ' CE1' HG13 ' A' ' 122' ' ' VAL . 28.1 m-85 -67.91 -54.06 21.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 89' ' ' TYR . 15.9 mm-40 -34.54 -59.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -133.75 91.74 2.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -56.34 -43.58 79.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.5 -56.04 26.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -41.48 -44.39 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.84 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.802 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -43.89 -42.02 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -48.31 -44.76 34.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.435 ' O ' HG12 ' A' ' 102' ' ' VAL . 13.4 mt -70.27 -29.79 66.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.979 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.462 HG21 HD12 ' A' ' 76' ' ' LEU . 87.9 t -72.73 -35.73 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.474 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 7.0 ptt180 -85.25 -29.76 24.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 100' ' ' ARG . 30.4 mm-40 -70.81 -33.05 70.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 98' ' ' LEU . 8.1 p -79.74 -32.24 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.581 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -80.93 -36.87 30.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.78 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -34.43 -60.26 0.52 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.543 0.687 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.78 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.0 Cg_endo -69.75 -21.81 33.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.621 2.214 . . . . 0.0 112.365 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 103' ' ' ALA . 14.2 t0 -75.59 -60.73 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.911 HG12 ' CE ' ' A' ' 110' ' ' MET . 2.1 m -51.66 -23.78 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.38 -23.81 62.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -65.06 -52.81 53.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.719 0.295 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.911 ' CE ' HG12 ' A' ' 107' ' ' VAL . 11.8 ptt? -70.47 -31.72 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.401 ' C ' HD13 ' A' ' 112' ' ' ILE . . . 119.37 19.97 4.08 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.449 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.529 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 9.8 mm -111.06 145.6 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -123.33 136.7 54.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.756 ' O ' HD12 ' A' ' 114' ' ' ILE . 2.3 pp -79.59 126.49 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.669 HD11 ' CG ' ' A' ' 41' ' ' LYS . 10.8 mp -87.56 -52.64 5.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 t -154.79 150.05 27.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.635 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 1.7 t80 -137.88 115.64 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.649 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.8 m -132.19 171.84 13.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.649 ' H ' HG22 ' A' ' 118' ' ' THR . 16.8 mm -107.51 137.63 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.463 ' HB2' HG23 ' A' ' 37' ' ' VAL . 16.0 ttmt -92.52 -69.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -148.69 144.97 27.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.581 HG13 ' CE1' ' A' ' 89' ' ' TYR . 2.4 p -132.6 118.19 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.128 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -132.95 162.99 30.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.0 mt . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.778 0.323 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.3 mtm -100.32 129.07 46.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.5 m -90.28 106.61 18.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.513 HD13 ' CG1' ' A' ' 40' ' ' VAL . 10.2 mp -115.39 119.25 35.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -108.36 97.6 23.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.722 . . . . 0.0 110.912 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.2 Cg_endo -69.83 112.08 2.99 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.713 2.275 . . . . 0.0 112.288 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -114.23 153.62 29.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.9 p -139.0 130.91 27.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 37.7 mt-10 -126.17 160.91 28.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.4 p30 46.62 47.27 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 m -118.24 119.25 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 31' ' ' ALA . 1.9 mm-40 -80.06 152.6 29.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.748 HG22 ' CD2' ' A' ' 80' ' ' LEU . 4.2 p -100.76 176.11 5.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -36.12 -39.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -76.26 -41.76 47.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' THR . . . 124.59 15.1 3.35 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 26' ' ' THR . 2.5 t -92.98 121.71 43.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 0.0 111.077 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.457 ' N ' ' OE1' ' A' ' 25' ' ' GLU . . . -69.79 119.38 13.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 30' ' ' VAL . 3.3 mm? -115.49 158.93 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -120.93 103.95 9.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.867 HG13 HG22 ' A' ' 122' ' ' VAL . 21.5 t -115.79 126.53 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.7 m -80.35 -54.11 6.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.0 146.05 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 120' ' ' LYS . 22.4 t -148.98 125.44 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 116' ' ' SER . . . -145.74 155.68 43.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -108.95 137.68 46.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.513 ' CG1' HD13 ' A' ' 17' ' ' LEU . 9.8 p -136.35 157.86 37.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HE2' HD21 ' A' ' 115' ' ' LEU . 23.7 pttt -151.38 156.3 40.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mt -87.3 135.76 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.479 ' CE ' ' HB2' ' A' ' 113' ' ' GLU . 62.1 mtm . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.849 0.357 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -107.74 -36.51 6.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 4.6 m -58.5 -47.93 82.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -78.3 -11.06 59.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -90.38 -16.89 28.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.434 ' CD1' HG13 ' A' ' 64' ' ' ILE . 26.6 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.873 0.368 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -59.74 -45.3 92.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.434 HG13 ' CD1' ' A' ' 56' ' ' PHE . 2.8 mp -58.39 -58.15 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.54 -45.83 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -56.96 -63.26 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.9 t -40.65 -59.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.9 t -57.05 -44.48 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.2 tp -55.31 -41.1 71.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -59.37 -35.85 74.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.514 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 26.6 m -63.18 -60.04 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.487 HD23 ' CB ' ' A' ' 103' ' ' ALA . 96.2 mt -62.97 -44.33 96.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -60.43 -52.53 64.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.91 -40.98 27.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 71' ' ' THR . 77.1 m-70 -70.31 -52.12 25.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.674 HD12 HG21 ' A' ' 99' ' ' VAL . 12.0 tp -35.39 -52.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -65.41 -39.57 92.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 75' ' ' HIS . 27.9 p -60.27 -46.64 89.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.7 mm -66.79 -45.51 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.748 ' CD2' HG22 ' A' ' 26' ' ' THR . 3.6 tt -57.3 -49.5 75.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -44.97 -51.05 8.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.2 t -75.46 -13.91 60.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 95' ' ' PHE . 3.3 tp -98.42 123.71 42.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.411 ' O ' HD12 ' A' ' 88' ' ' ILE . 38.7 p -65.88 141.0 58.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.556 ' HA ' HD13 ' A' ' 88' ' ' ILE . 7.4 p -45.77 -39.7 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.52 -36.07 71.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.19 -53.36 25.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.568 HG13 HD23 ' A' ' 83' ' ' LEU . 3.6 mp -43.88 -47.64 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -72.2 -52.71 15.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -41.8 -61.6 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.92 107.84 8.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -81.06 -52.41 7.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.89 -35.99 16.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.788 ' O ' HD12 ' A' ' 98' ' ' LEU . 21.1 tm0? -71.41 -40.75 70.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.576 ' CD1' HD22 ' A' ' 83' ' ' LEU . 22.7 t80 -64.22 -35.14 79.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.559 ' HB1' ' HD1' ' A' ' 117' ' ' PHE . . . -71.29 -15.25 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -81.88 -51.41 8.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 94' ' ' GLN . 5.4 mp -51.18 -17.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.674 HG21 HD12 ' A' ' 76' ' ' LEU . 22.2 t -89.93 -65.48 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.573 ' HB3' ' CD2' ' A' ' 117' ' ' PHE . 9.5 ptt180 -56.72 -24.71 51.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -75.32 -32.72 61.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 99' ' ' VAL . 14.0 p -89.0 -22.25 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -90.76 -29.59 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.799 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -50.39 -60.76 4.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.799 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.1 Cg_endo -69.71 -1.78 9.02 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.76 -60.15 1.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 103' ' ' ALA . 4.8 m -53.24 -37.97 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -45.22 -51.26 9.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -48.15 -49.33 32.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 45.1 mtm -65.11 -34.16 77.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.25 0.65 7.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.452 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 35.4 mm -101.24 142.86 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.479 ' HB2' ' CE ' ' A' ' 43' ' ' MET . 2.8 tp10 -126.05 132.3 51.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.432 HG23 HG21 ' A' ' 107' ' ' VAL . 2.3 pp -80.44 142.98 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.415 HD21 ' HE2' ' A' ' 41' ' ' LYS . 95.5 mt -96.65 -51.36 4.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.405 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 3.8 t -156.6 168.68 26.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 100' ' ' ARG . 1.9 t80 -146.75 129.58 16.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.639 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.8 m -144.4 172.33 13.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.639 ' H ' HG22 ' A' ' 118' ' ' THR . 27.6 mm -110.88 125.32 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.441 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -81.78 -72.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -139.89 145.03 37.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.867 HG22 HG13 ' A' ' 34' ' ' VAL . 19.8 t -139.98 110.12 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 123' ' ' TYR . 1.5 p90 -128.97 171.02 12.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 17.8 p-10 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.5 mt . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.868 0.366 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.478 ' HG3' HD13 ' A' ' 17' ' ' LEU . 2.5 ptt? -108.6 137.03 47.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.1 m -94.05 110.08 21.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.478 HD13 ' HG3' ' A' ' 15' ' ' MET . 9.2 mp -113.52 113.35 25.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -106.08 97.46 15.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 113.01 3.23 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -114.03 132.85 55.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.611 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.8 m -112.26 138.96 48.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 54.2 mt-10 -128.85 151.14 49.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.539 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 2.9 p-10 46.68 49.89 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 24' ' ' VAL . 35.7 m -105.01 105.75 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -60.38 126.86 29.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.55 HG22 HD21 ' A' ' 80' ' ' LEU . 41.4 p -75.78 -175.2 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 81' ' ' GLY . . . -45.17 -56.29 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' HG3' HG23 ' A' ' 30' ' ' VAL . 13.6 pt-20 -66.27 -43.45 86.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 134.42 41.8 0.15 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.539 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.51 HG12 ' CD2' ' A' ' 32' ' ' LEU . 96.5 t -114.12 124.03 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 111.156 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' A' ' 23' ' ' ASP . . . -71.3 120.29 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.806 HD21 HG23 ' A' ' 85' ' ' VAL . 4.2 mm? -120.37 164.91 15.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.418 HG21 ' CE2' ' A' ' 123' ' ' TYR . 14.7 m -128.12 112.83 15.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.577 HG13 HG22 ' A' ' 122' ' ' VAL . 57.5 t -120.77 116.22 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 m -65.99 -52.51 48.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.55 146.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 24.3 t -151.62 119.74 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.095 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 116' ' ' SER . . . -141.52 142.56 33.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -89.4 154.96 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.457 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 8.7 p -157.32 144.69 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.537 ' HG2' HD21 ' A' ' 115' ' ' LEU . 21.6 pttt -137.9 160.85 38.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.664 HD13 ' CD1' ' A' ' 112' ' ' ILE . 47.2 mm -81.12 112.49 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 42' ' ' ILE . 6.8 mtt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 52' ' ' ALA . 4.4 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.79 0.329 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.484 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -99.5 -40.84 7.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.3 m -44.17 -65.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -61.63 -36.31 80.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -53.16 -32.16 46.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.546 ' CD1' HG13 ' A' ' 64' ' ' ILE . 6.3 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.458 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 56.6 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.637 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -48.28 -56.26 8.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.751 ' H ' HD12 ' A' ' 64' ' ' ILE . 5.3 mp -52.13 -70.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -38.34 -42.32 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 62' ' ' GLN . 53.5 m-80 -66.62 -62.16 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 63' ' ' ASP . 63.4 t -40.0 -61.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.8 t -53.73 -48.48 60.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -53.76 -47.31 70.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -53.31 -44.55 68.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.455 HG21 ' CG1' ' A' ' 107' ' ' VAL . 62.7 m -50.06 -62.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.447 HD23 ' CB ' ' A' ' 103' ' ' ALA . 26.6 mt -63.8 -53.59 48.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -44.09 -59.2 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.02 -48.73 45.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -59.79 -38.45 81.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.374 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.615 HD12 HG21 ' A' ' 99' ' ' VAL . 10.3 tp -50.23 -45.12 53.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -74.42 -34.63 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.2 p -63.25 -50.22 71.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.478 ' O ' ' C ' ' A' ' 80' ' ' LEU . 36.5 mm -67.13 -65.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.55 HD21 HG22 ' A' ' 26' ' ' THR . 6.1 tt -31.55 -40.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.481 ' O ' ' HB2' ' A' ' 27' ' ' ALA . . . -42.95 -67.7 0.9 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 79' ' ' ILE . 5.5 t -46.49 -34.77 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.132 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.7 mt -79.98 140.09 36.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.6 p -87.26 145.79 26.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.806 HG23 HD21 ' A' ' 32' ' ' LEU . 7.7 p -39.78 -43.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.452 ' N ' HG13 ' A' ' 85' ' ' VAL . 2.9 tt0 -61.58 -68.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -38.99 -53.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 70.2 mt -41.99 -62.18 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.421 ' CE2' HD11 ' A' ' 32' ' ' LEU . 38.6 m-85 -52.56 -51.4 59.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -49.8 -64.34 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.18 78.82 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.54 ' HG3' HG21 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -80.85 -24.35 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.414 ' N ' ' HG2' ' A' ' 92' ' ' ARG . 0.9 OUTLIER -56.72 -51.15 69.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -61.18 -48.56 80.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -41.39 -55.87 2.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.861 ' HB2' HD11 ' A' ' 119' ' ' ILE . . . -44.38 -47.31 9.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 100' ' ' ARG . 10.9 ttmm -53.46 -57.49 10.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.585 ' O ' HG12 ' A' ' 102' ' ' VAL . 9.1 mp -41.22 -27.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.615 HG21 HD12 ' A' ' 76' ' ' LEU . 11.4 t -84.9 -40.93 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.48 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 21.5 ptt85 -67.44 -36.37 81.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.461 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 0.8 OUTLIER -70.77 -47.02 61.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 98' ' ' LEU . 7.2 p -68.37 -27.75 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.447 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -85.87 -39.83 16.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.763 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -34.0 -60.11 0.49 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.55 0.691 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.763 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.2 Cg_endo -69.76 -32.38 18.7 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -61.11 -53.18 60.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.455 ' CG1' HG21 ' A' ' 71' ' ' THR . 16.7 m -61.95 -43.22 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -37.81 -52.23 1.99 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.465 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -42.6 -51.15 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 51.0 mtm -65.85 -43.17 89.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.818 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 125.34 33.32 0.73 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.664 ' CD1' HD13 ' A' ' 42' ' ' ILE . 20.3 mm -123.69 135.47 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.782 0.325 . . . . 0.0 111.183 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -110.04 131.76 54.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.409 HD11 ' NH1' ' A' ' 100' ' ' ARG . 2.3 pp -89.6 140.56 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.537 HD21 ' HG2' ' A' ' 41' ' ' LYS . 3.1 mm? -89.58 -55.72 3.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.983 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.439 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 1.4 t -158.91 174.56 14.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.816 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.734 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -147.95 119.33 7.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.614 HG22 ' H ' ' A' ' 119' ' ' ILE . 5.0 m -135.07 170.17 16.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.861 HD11 ' HB2' ' A' ' 96' ' ' ALA . 23.9 mm -100.29 137.92 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -99.5 -52.24 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -162.16 142.91 10.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.577 HG22 HG13 ' A' ' 34' ' ' VAL . 90.3 t -137.48 119.98 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.418 ' CE2' HG21 ' A' ' 33' ' ' THR . 2.2 p90 -136.02 171.31 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 21.9 p-10 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.2 mt . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.893 0.377 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.496 ' CE ' HG21 ' A' ' 68' ' ' VAL . 14.4 ptt? -118.78 126.04 50.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 m -79.47 108.46 13.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.765 HD12 HG11 ' A' ' 40' ' ' VAL . 81.3 mt -114.04 109.85 19.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -100.74 99.18 9.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HA ' HD11 ' A' ' 69' ' ' LEU . 53.4 Cg_endo -69.76 101.19 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.708 2.272 . . . . 0.0 112.374 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -106.29 129.6 54.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.611 ' HB3' HG11 ' A' ' 24' ' ' VAL . 72.3 m -123.86 111.98 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.491 ' CB ' HG23 ' A' ' 33' ' ' THR . 10.1 pt-20 -107.77 154.78 21.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 59.04 43.04 18.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 24' ' ' VAL . 21.7 m -104.05 102.41 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.58 114.42 4.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.66 HG22 HD21 ' A' ' 80' ' ' LEU . 1.2 p -76.09 179.96 5.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -40.85 -54.82 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -59.51 -29.36 67.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' THR . . . 112.93 -6.13 25.65 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.456 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.633 ' O ' HG23 ' A' ' 26' ' ' THR . 10.9 t -75.45 130.31 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 111.132 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.89 119.4 23.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -115.08 165.62 12.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.491 HG23 ' CB ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -124.77 104.8 8.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.77 HG22 HG12 ' A' ' 122' ' ' VAL . 78.2 t -108.56 113.09 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.0 m -65.25 -54.07 34.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.191 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.01 141.63 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.422 HG23 ' HB2' ' A' ' 120' ' ' LYS . 10.5 t -145.38 112.72 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.186 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -131.62 153.71 49.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -105.32 145.32 30.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.765 HG11 HD12 ' A' ' 17' ' ' LEU . 7.5 p -147.92 153.04 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' NZ ' HD11 ' A' ' 115' ' ' LEU . 6.1 pttm -143.76 158.43 43.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.612 HD13 ' CD1' ' A' ' 112' ' ' ILE . 18.7 mm -81.11 123.72 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.6 mtm . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.796 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.776 0.322 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.513 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -113.63 -40.75 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 5.0 t -40.8 -59.29 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -70.29 -31.67 69.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -61.16 -31.16 70.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.616 ' HB3' HD11 ' A' ' 64' ' ' ILE . 18.7 m-85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.771 0.32 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.815 ' O ' HG23 ' A' ' 67' ' ' VAL . 7.5 m-20 -48.79 -46.99 42.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 56' ' ' PHE . 6.0 mt -54.86 -70.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.522 ' N ' HG22 ' A' ' 64' ' ' ILE . 43.0 mttt -39.03 -36.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -72.33 -48.6 40.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 63' ' ' ASP . 48.8 t -51.12 -49.09 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.59 HG22 HG13 ' A' ' 112' ' ' ILE . 88.7 t -65.09 -48.35 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.454 HD11 ' HA ' ' A' ' 19' ' ' PRO . 9.3 tp -58.28 -34.48 70.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -62.07 -39.56 92.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.471 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 82.7 m -60.15 -56.85 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.408 HD23 ' CB ' ' A' ' 103' ' ' ALA . 96.4 mt -62.15 -41.92 98.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.1 -58.83 6.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -43.96 -45.76 7.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.421 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.937 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 93.3 m-70 -60.18 -36.63 78.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.592 HD12 HG21 ' A' ' 99' ' ' VAL . 12.9 tp -57.84 -61.9 2.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.403 ' CD ' HG12 ' A' ' 24' ' ' VAL . 25.1 ttt180 -54.23 -42.23 69.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -61.07 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.428 HG22 ' HE1' ' A' ' 95' ' ' PHE . 22.8 mm -54.35 -32.59 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.66 HD21 HG22 ' A' ' 26' ' ' THR . 5.4 tt -72.06 -42.2 66.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -49.81 -53.88 20.11 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.9 t -68.26 -26.56 65.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 111.124 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.715 HD22 ' CE1' ' A' ' 95' ' ' PHE . 7.4 tp -83.66 134.63 34.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.0 p -72.95 154.36 40.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.556 ' HA ' HD12 ' A' ' 88' ' ' ILE . 4.3 p -59.67 -42.73 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -61.02 -35.32 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -68.46 -50.28 53.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 85' ' ' VAL . 36.4 mt -46.72 -37.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 90' ' ' GLN . 32.9 m-85 -76.19 -46.05 30.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 89' ' ' TYR . 18.7 mt-30 -38.14 -67.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.88 120.01 18.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 95' ' ' PHE . 44.0 mtm180 -87.55 -58.92 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' ARG . 1.7 p-10 -37.24 -43.23 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.804 HE22 HD11 ' A' ' 98' ' ' LEU . 25.1 tm0? -65.78 -40.58 92.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.715 ' CE1' HD22 ' A' ' 83' ' ' LEU . 9.3 t80 -55.96 -63.74 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.442 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -46.79 -40.8 14.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -51.18 -38.2 50.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.804 HD11 HE22 ' A' ' 94' ' ' GLN . 20.1 mt -76.21 -39.66 54.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.592 HG21 HD12 ' A' ' 76' ' ' LEU . 61.0 t -66.85 -29.22 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.503 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 7.6 ptp180 -86.85 -29.07 22.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.409 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 3.6 mm-40 -74.26 -37.81 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.9 p -72.25 -36.73 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.937 ' HB2' ' CD2' ' A' ' 75' ' ' HIS . . . -83.15 -38.2 22.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.06 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.717 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.35 -58.07 0.53 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 55.0 Cg_endo -69.72 -26.58 27.6 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.379 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.0 OUTLIER -70.54 -55.66 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.685 HG21 HG23 ' A' ' 114' ' ' ILE . 6.1 m -48.09 -32.72 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.89 -30.76 70.37 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.98 -47.88 83.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.863 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.443 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 3.0 ptt? -76.58 -30.68 57.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.33 26.8 3.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.439 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.612 ' CD1' HD13 ' A' ' 42' ' ' ILE . 28.3 mm -117.78 145.58 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -118.11 140.8 49.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.685 HG23 HG21 ' A' ' 107' ' ' VAL . 1.7 pp -96.25 136.37 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.191 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.691 HD22 ' N ' ' A' ' 115' ' ' LEU . 1.5 mm? -89.24 -48.76 7.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.957 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.04 157.43 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.471 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 1.6 t80 -130.66 123.42 29.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.467 HG22 ' H ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER -127.18 168.64 14.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.467 ' H ' HG22 ' A' ' 118' ' ' THR . 41.2 mm -113.17 104.29 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.422 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -56.17 -74.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -158.45 142.87 15.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.77 HG12 HG22 ' A' ' 34' ' ' VAL . 35.7 m -120.92 124.51 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.072 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -137.13 164.88 27.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.6 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.824 0.345 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.419 ' CG ' HG13 ' A' ' 40' ' ' VAL . 2.9 ptt? -125.11 139.36 53.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.423 HG23 ' OE1' ' A' ' 39' ' ' GLN . 6.6 m -100.48 104.49 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.527 HD12 HG11 ' A' ' 40' ' ' VAL . 86.6 mt -100.82 125.6 47.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG2' HG22 ' A' ' 37' ' ' VAL . 47.0 mt-30 -105.18 97.48 13.59 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.429 ' HA ' ' CD ' ' A' ' 73' ' ' GLU . 54.4 Cg_endo -69.8 86.37 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -95.69 131.06 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.7 p -123.43 123.27 40.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.74 142.36 51.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 t70 69.31 47.91 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 24' ' ' VAL . 35.0 m -115.73 105.8 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -59.89 133.11 55.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.453 HG22 ' CD2' ' A' ' 80' ' ' LEU . 71.9 p -83.57 -175.41 5.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.212 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.49 -53.17 4.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.89 -43.6 71.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.45 28.94 0.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.9 t -99.09 131.05 47.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.779 0.323 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.37 111.48 20.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.83 165.93 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -128.35 107.98 10.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.437 HG22 ' CG2' ' A' ' 122' ' ' VAL . 99.2 t -119.43 119.58 61.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.1 m -68.21 -54.99 13.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.06 142.68 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.544 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.715 HG23 ' HB2' ' A' ' 120' ' ' LYS . 53.3 t -140.75 126.5 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.89 146.98 33.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.441 ' CG ' HD22 ' A' ' 115' ' ' LEU . 15.5 tp60 -103.43 132.7 49.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.527 HG11 HD12 ' A' ' 17' ' ' LEU . 8.4 p -135.53 155.12 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 1.012 ' HG2' HD11 ' A' ' 115' ' ' LEU . 7.1 pttm -144.17 150.89 38.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.52 HD13 ' CD1' ' A' ' 112' ' ' ILE . 49.8 mm -75.15 103.58 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.515 ' HE3' ' C ' ' A' ' 112' ' ' ILE . 7.1 mtm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.838 0.352 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.821 ' HB2' ' O ' ' A' ' 110' ' ' MET . . . -108.24 -29.86 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.7 t -42.67 -68.98 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.27 -32.4 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -58.73 -24.72 62.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.662 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 23.6 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.817 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.44 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 40.1 mt-30 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.732 0.301 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.778 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.0 m-20 -62.94 -51.14 68.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.537 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.8 mp -60.07 -59.54 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -43.31 -37.86 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 62' ' ' GLN . 73.0 m-20 -77.49 -63.32 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 63' ' ' ASP . 84.0 t -36.88 -43.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -75.89 -62.06 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -42.54 -33.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -67.69 -42.73 81.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.477 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 18.0 m -54.12 -54.85 33.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.2 mt -68.49 -48.43 64.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' CD ' ' HA ' ' A' ' 19' ' ' PRO . 3.7 mm-40 -51.55 -58.76 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.92 -52.87 15.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 71' ' ' THR . 63.9 m-70 -52.34 -42.13 63.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.808 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.813 HD12 HG21 ' A' ' 99' ' ' VAL . 12.8 tp -51.7 -54.91 23.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -55.28 -42.68 73.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.2 t -61.86 -59.05 5.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.606 HG22 ' HE1' ' A' ' 95' ' ' PHE . 35.7 mm -60.28 -29.24 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.665 ' O ' HD23 ' A' ' 80' ' ' LEU . 5.4 tt -75.99 -28.64 57.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.53 -55.26 18.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 t -67.05 -12.08 58.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.795 0.331 . . . . 0.0 111.086 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.4 tp -103.15 133.62 47.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.2 p -74.59 148.94 40.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.071 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.571 ' HA ' HD12 ' A' ' 88' ' ' ILE . 2.0 p -48.12 -37.77 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.02 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -38.58 -53.16 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 85' ' ' VAL . 53.3 mt -40.02 -44.41 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.561 ' HE1' HG13 ' A' ' 122' ' ' VAL . 57.7 m-85 -73.44 -49.09 28.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' TYR . 12.7 mm100 -35.1 -64.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.43 88.69 2.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -62.33 -56.8 14.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -45.78 -42.07 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 36.0 tp60 -61.4 -49.04 78.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.606 ' HE1' HG22 ' A' ' 79' ' ' ILE . 23.6 t80 -50.52 -62.21 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.76 -44.47 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -49.73 -38.67 34.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.639 ' O ' HG12 ' A' ' 102' ' ' VAL . 24.2 mt -69.88 -43.97 70.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.813 HG21 HD12 ' A' ' 76' ' ' LEU . 61.6 t -61.4 -40.22 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.489 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 4.3 ptp180 -76.57 -35.26 58.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.469 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 41.5 mt-10 -68.43 -42.18 79.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 98' ' ' LEU . 11.7 p -76.23 -25.72 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.581 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -86.94 -33.18 19.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.688 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -45.31 -56.53 9.22 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.546 0.689 . . . . 0.0 111.08 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.688 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.9 Cg_endo -69.77 -19.63 35.82 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.407 ' HB2' ' HA ' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -78.69 -60.99 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.883 HG12 ' CE ' ' A' ' 110' ' ' MET . 4.6 m -47.28 -38.74 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.36 -29.09 6.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -59.95 -46.18 90.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.883 ' CE ' HG12 ' A' ' 107' ' ' VAL . 7.6 ptt? -77.9 -33.62 51.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.17 37.69 1.0 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.52 ' CD1' HD13 ' A' ' 42' ' ' ILE . 7.0 mm -122.72 145.14 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -116.52 130.44 56.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.439 HG23 HG21 ' A' ' 107' ' ' VAL . 2.3 pp -84.47 140.33 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.012 HD11 ' HG2' ' A' ' 41' ' ' LYS . 7.1 mp -95.1 -51.9 4.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 t -163.96 152.35 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.489 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.7 OUTLIER -130.39 106.27 8.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.6 m -120.15 169.24 10.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.558 ' H ' HG22 ' A' ' 118' ' ' THR . 43.1 mm -103.76 139.08 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.715 ' HB2' HG23 ' A' ' 37' ' ' VAL . 1.6 tppt? -94.89 -72.38 0.62 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -148.23 143.9 27.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.561 HG13 ' HE1' ' A' ' 89' ' ' TYR . 2.3 p -131.57 115.78 29.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -131.76 174.49 10.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.2 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.832 0.348 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.736 ' SD ' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -121.98 138.38 54.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 m -96.19 116.6 29.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.479 HD13 ' HG2' ' A' ' 15' ' ' MET . 7.3 mp -113.21 126.33 55.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 18' ' ' GLN . 6.1 mp0 -103.46 97.44 10.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.535 ' O ' HD22 ' A' ' 76' ' ' LEU . 53.9 Cg_endo -69.74 91.72 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -106.15 157.85 17.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' HB3' HG11 ' A' ' 24' ' ' VAL . 13.8 m -141.7 140.4 33.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -129.33 145.38 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 57.74 44.57 20.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.82 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 24' ' ' VAL . 14.5 m -108.17 75.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -39.56 124.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.793 HG23 ' O ' ' A' ' 30' ' ' VAL . 76.3 p -67.94 -175.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.85 -54.73 17.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.451 ' HG2' HG23 ' A' ' 30' ' ' VAL . 1.5 pm0 -70.04 -16.09 63.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.67 47.1 1.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.793 ' O ' HG23 ' A' ' 26' ' ' THR . 57.9 t -120.58 104.0 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.88 0.372 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.33 110.38 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.782 ' CD2' HG12 ' A' ' 30' ' ' VAL . 3.9 mm? -113.13 151.23 31.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.8 m -108.97 104.62 13.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.577 HG22 HG22 ' A' ' 122' ' ' VAL . 77.0 t -110.88 119.14 58.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.0 m -70.54 -58.85 3.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.39 143.02 0.21 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 65.0 t -146.75 121.87 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.6 141.78 30.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -94.82 147.28 23.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.736 HG13 ' SD ' ' A' ' 15' ' ' MET . 8.7 p -148.16 161.06 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 40' ' ' VAL . 18.3 pttt -154.18 159.49 41.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.463 HD13 ' CD1' ' A' ' 112' ' ' ILE . 32.7 mm -78.85 121.38 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.5 mtt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.756 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.575 HG13 ' N ' ' A' ' 52' ' ' ALA . 7.5 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.828 0.347 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 110' ' ' MET . . . -104.47 18.34 22.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.5 t -89.28 -65.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -73.12 -24.12 60.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.594 ' OE1' ' CZ ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -61.31 -18.53 58.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.594 ' CZ ' ' OE1' ' A' ' 55' ' ' GLN . 23.1 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' ASP . 16.3 mt-30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.911 0.386 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 64' ' ' ILE . 7.6 t70 -36.14 -63.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.615 ' H ' HD12 ' A' ' 64' ' ' ILE . 3.6 mp -36.33 -64.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -38.2 -49.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -62.12 -36.43 81.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 64' ' ' ILE . 84.6 t -65.4 -64.76 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.43 HG22 HG13 ' A' ' 112' ' ' ILE . 97.8 t -50.7 -29.07 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.411 ' CA ' HD23 ' A' ' 17' ' ' LEU . 36.7 tp -72.77 -41.57 64.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -58.97 -32.74 69.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.457 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 89.2 m -65.33 -61.06 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.2 -38.76 90.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -59.16 -53.79 54.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.67 -43.0 53.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.46 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.786 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 89.8 m-70 -62.61 -36.91 84.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.535 HD22 ' O ' ' A' ' 19' ' ' PRO . 4.3 tp -59.16 -44.03 92.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.434 ' NE ' HG12 ' A' ' 24' ' ' VAL . 45.3 ttt180 -69.39 -40.24 77.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -64.89 -50.64 65.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.782 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 43.1 mm -65.04 -36.94 78.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.426 HD21 HG22 ' A' ' 26' ' ' THR . 6.8 tt -70.39 -44.44 68.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.91 -46.63 32.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.451 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 t -77.5 -11.66 59.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.861 0.362 . . . . 0.0 111.191 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 tp -98.82 129.98 45.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.6 p -73.13 140.28 46.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.679 ' HA ' HD12 ' A' ' 88' ' ' ILE . 2.3 p -38.25 -46.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.02 -57.21 14.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -44.94 -45.73 10.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 85' ' ' VAL . 49.2 mt -52.71 -36.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 90' ' ' GLN . 44.0 m-85 -76.34 -46.98 25.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 89' ' ' TYR . 36.0 mm-40 -33.85 -60.51 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.82 118.38 7.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -81.04 -51.04 8.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -47.08 -32.03 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.694 ' O ' HD12 ' A' ' 98' ' ' LEU . 8.3 tm0? -80.74 -32.97 35.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -68.48 -55.86 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.633 ' HB2' HG12 ' A' ' 119' ' ' ILE . . . -56.29 -20.06 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -71.62 -59.1 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 94' ' ' GLN . 5.5 mp -50.24 -18.47 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.85 -29.07 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.488 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 5.0 ptm180 -85.52 -39.8 17.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -69.02 -30.56 68.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.406 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 6.7 p -76.03 -35.49 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.786 ' HB2' ' CD2' ' A' ' 75' ' ' HIS . . . -84.16 -35.04 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.698 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -36.69 -56.81 1.3 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.616 0.722 . . . . 0.0 111.157 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.698 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.1 Cg_endo -69.77 -21.52 33.34 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.5 m-20 -77.68 -59.23 2.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.548 HG21 HG23 ' A' ' 114' ' ' ILE . 20.7 m -51.63 -31.32 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.59 -18.36 23.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -72.79 -53.52 11.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.604 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 3.7 ptt? -68.26 -33.69 74.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 118.44 28.67 2.09 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.537 ' HB ' ' HE3' ' A' ' 110' ' ' MET . 41.5 mm -114.3 141.09 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.753 0.311 . . . . 0.0 111.159 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -114.33 133.42 55.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.651 ' O ' HD12 ' A' ' 114' ' ' ILE . 2.3 pp -91.38 130.88 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 40' ' ' VAL . 2.4 mm? -83.91 -55.62 4.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.2 m -156.27 169.54 24.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.488 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -145.79 117.0 7.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.681 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.0 m -134.64 174.34 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.681 ' H ' HG22 ' A' ' 118' ' ' THR . 33.4 mm -113.38 135.53 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 40.6 tttm -91.08 -74.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -133.85 150.16 51.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.577 HG22 HG22 ' A' ' 34' ' ' VAL . 12.4 t -142.35 107.78 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -127.69 156.34 42.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' A' ' 124' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -91.15 159.99 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.796 0.332 . . . . 0.0 110.886 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -114.55 158.96 20.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.28 114.22 0.6 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -143.75 120.91 11.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.0 110.819 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -60.78 141.22 57.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.8 111.53 0.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.526 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -112.17 38.52 2.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 0.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -151.21 148.22 27.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.6 tp -56.93 146.38 6.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -109.99 84.79 1.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 13' ' ' GLU . 6.6 tt -53.84 -37.33 63.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 12' ' ' LEU . 8.7 mm-40 -34.46 150.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 40' ' ' VAL . 52.6 mt -51.96 131.45 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.7 mtm -100.92 134.53 43.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.9 m -100.9 103.51 14.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 69' ' ' LEU . 20.8 mt -109.77 128.68 55.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.412 ' CG ' HG22 ' A' ' 37' ' ' VAL . 3.0 mp0 -106.41 97.54 16.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.662 0.744 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.8 Cg_endo -69.68 91.57 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.403 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -111.17 149.58 30.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 t -141.32 145.81 35.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -130.03 142.39 50.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.3 t70 70.38 51.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.785 HG21 HD13 ' A' ' 80' ' ' LEU . 31.6 m -116.75 88.8 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -52.24 122.41 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.589 HG21 ' CG2' ' A' ' 85' ' ' VAL . 79.1 p -64.15 -175.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.74 -55.02 12.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.501 ' HG3' HG23 ' A' ' 30' ' ' VAL . 17.5 pt-20 -59.41 -52.39 65.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.94 42.44 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.501 HG23 ' HG3' ' A' ' 28' ' ' GLU . 48.3 t -122.55 116.47 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.122 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.7 117.81 10.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.064 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 124' ' ' ASP . 3.9 mm? -116.37 164.21 14.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 m -120.04 109.6 15.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.232 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.969 HG22 HG22 ' A' ' 122' ' ' VAL . 78.8 t -114.67 123.47 70.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.535 HG21 ' HD3' ' A' ' 120' ' ' LYS . 23.2 m -75.98 -53.75 7.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.162 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.05 148.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.457 HG23 ' HB2' ' A' ' 120' ' ' LYS . 17.8 t -151.33 121.83 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.78 156.3 45.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -114.59 140.77 48.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.429 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 5.2 p -135.32 163.1 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.638 ' HG2' HD21 ' A' ' 115' ' ' LEU . 22.1 pttt -154.28 153.54 31.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.445 HD13 ' CD1' ' A' ' 112' ' ' ILE . 5.5 mm -69.43 148.38 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.7 mtm -103.28 155.61 18.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.28 153.53 29.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.448 ' N ' HD23 ' A' ' 49' ' ' LEU . 15.2 mm-40 -137.3 108.18 6.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -51.67 -19.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.5 -72.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.4 tp -164.84 114.74 1.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.791 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -95.9 31.36 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.08 -11.38 38.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.94 -34.03 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.791 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . . . -109.74 -32.83 6.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.1 m -63.18 -57.82 9.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -63.13 -23.97 67.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -79.96 -16.51 55.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -113.09 -17.84 12.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.2 121.78 18.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.49 -38.38 3.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.468 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.576 ' HZ3' ' HB3' ' A' ' 63' ' ' ASP . 1.4 mtmp? -71.32 -177.02 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.331 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 61' ' ' VAL . 9.9 m-20 -109.9 142.11 41.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.946 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.475 HG23 ' H ' ' A' ' 62' ' ' GLN . 2.6 m -35.38 -52.2 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.475 ' H ' HG23 ' A' ' 61' ' ' VAL . 18.1 pt20 -49.04 -48.17 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.576 ' HB3' ' HZ3' ' A' ' 59' ' ' LYS . 36.4 m-20 -53.94 -52.65 59.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 64' ' ' ILE . 3.6 mp -52.44 -63.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -46.4 -36.75 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -65.03 -58.29 6.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.0 t -47.11 -55.93 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.418 HG11 HG11 ' A' ' 40' ' ' VAL . 61.3 t -60.24 -49.31 84.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.487 ' N ' HD13 ' A' ' 17' ' ' LEU . 16.7 tp -54.07 -40.17 66.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -57.08 -55.69 31.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.3 m -42.37 -57.08 2.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.487 HD23 ' CB ' ' A' ' 103' ' ' ALA . 91.3 mt -64.2 -52.11 60.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.12 -67.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.09 -56.16 2.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.491 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 69.5 m-70 -47.78 -51.23 23.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.783 HD12 HG21 ' A' ' 99' ' ' VAL . 5.7 tp -42.07 -54.76 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.46 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 37.4 ttp180 -53.95 -51.85 62.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -53.46 -47.95 69.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.2 mm -69.43 -27.12 33.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.785 HD13 HG21 ' A' ' 24' ' ' VAL . 5.1 tt -77.9 -31.16 51.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.44 -46.36 70.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -71.63 -20.31 61.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.358 . . . . 0.0 111.122 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.6 mt -98.93 129.82 45.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.939 HG23 ' H ' ' A' ' 86' ' ' GLU . 6.5 t -70.4 -177.29 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.633 HG11 HD11 ' A' ' 129' ' ' LEU . 9.5 t -77.33 -15.49 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.939 ' H ' HG23 ' A' ' 84' ' ' THR . 2.0 mp0 -87.19 -66.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -39.62 -40.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.99 -73.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -48.98 -48.56 43.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -42.43 -61.91 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.89 81.82 2.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 62.2 mtm180 -66.82 -45.05 79.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -45.85 -39.39 8.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -71.49 -54.4 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -39.52 -51.74 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.06 95.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -56.22 -35.26 67.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.3 mt -71.03 -49.21 47.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.783 HG21 HD12 ' A' ' 76' ' ' LEU . 21.5 t -54.6 -36.87 37.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 5.3 ptm180 -83.72 -34.11 24.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.805 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -69.88 -29.6 66.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.6 p -87.92 -29.79 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.491 ' HB2' ' CD2' ' A' ' 75' ' ' HIS . . . -86.6 -30.62 21.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.791 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -47.57 -60.37 4.24 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.577 0.703 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.791 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.9 Cg_endo -69.67 -0.32 6.67 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.404 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.81 -53.62 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.809 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 112' ' ' ILE . 16.2 m -54.91 -24.47 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.97 -15.6 36.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.435 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -76.75 -37.18 56.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.819 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.42 ' CE ' HG12 ' A' ' 107' ' ' VAL . 0.4 OUTLIER -85.48 -29.84 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.59 32.11 2.19 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.495 ' O ' HG23 ' A' ' 107' ' ' VAL . 39.3 mm -127.58 138.75 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 0.0 111.137 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -116.29 141.43 48.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.974 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.425 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.4 pp -88.74 143.43 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.638 HD21 ' HG2' ' A' ' 41' ' ' LYS . 2.2 mm? -94.88 -54.12 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.6 t -155.96 162.31 40.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.789 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 100' ' ' ARG . 0.6 OUTLIER -140.8 126.16 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.689 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.1 m -138.94 173.64 11.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.689 ' H ' HG22 ' A' ' 118' ' ' THR . 9.8 mm -113.75 126.32 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.535 ' HD3' HG21 ' A' ' 35' ' ' THR . 35.0 tttm -79.81 -72.25 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -149.14 139.16 22.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.969 HG22 HG22 ' A' ' 34' ' ' VAL . 21.0 t -125.72 101.97 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -118.5 167.55 11.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.492 ' HB3' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -109.67 114.32 27.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -35.74 78.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 11.4 m -75.88 -6.18 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.17 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.8 t70 50.33 40.7 23.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.635 ' CZ ' HD11 ' A' ' 132' ' ' LEU . 54.0 t80 -73.18 -58.06 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.633 HD11 HG11 ' A' ' 85' ' ' VAL . 5.5 mp -56.89 -52.78 63.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.1 t -47.07 -50.91 18.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -53.4 -43.1 67.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.835 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.635 HD11 ' CZ ' ' A' ' 128' ' ' TYR . 18.2 mt -67.24 -34.41 77.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 43.22 85.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -64.65 118.46 8.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.357 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 2.5 p -142.56 147.99 36.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -65.96 123.28 19.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.1 p -120.07 173.11 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.0 t -119.97 148.24 43.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -149.95 146.29 15.32 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.88 159.96 51.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 35.0 p -147.09 139.39 24.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.92 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.9 m -69.77 -57.56 4.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -84.11 45.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.938 0.399 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m -98.62 97.52 8.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.91 124.28 6.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.537 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 m -119.88 98.79 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.941 0.401 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -57.64 110.69 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.75 159.41 8.32 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.527 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -119.98 34.12 5.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.33 150.27 37.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.1 tt -44.28 155.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.5 p -107.07 106.14 16.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 13' ' ' GLU . 4.4 tt -93.29 -40.58 10.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 12' ' ' LEU . 4.9 mp0 -35.96 153.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 40' ' ' VAL . 80.0 mt -55.57 138.61 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.186 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 71.9 mtm -111.95 138.32 48.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.7 m -106.05 104.45 14.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 mt -113.42 128.36 56.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.474 HE22 HG13 ' A' ' 37' ' ' VAL . 3.3 mm-40 -102.0 100.5 15.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.708 . . . . 0.0 110.922 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 54.1 Cg_endo -69.71 80.53 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.381 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.9 ttp85 -95.17 141.59 28.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.403 ' HB2' HD23 ' A' ' 76' ' ' LEU . 52.8 m -142.59 119.06 10.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.68 ' HB3' HG23 ' A' ' 33' ' ' THR . 19.8 pt-20 -115.49 157.37 24.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.526 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 6.2 t0 65.32 47.27 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 24' ' ' VAL . 24.6 m -114.71 102.7 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.27 118.58 6.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.688 HG21 HG23 ' A' ' 85' ' ' VAL . 17.4 p -65.93 -175.72 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.452 ' HB3' HG22 ' A' ' 84' ' ' THR . . . -51.63 -50.06 61.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.482 ' HG2' HG23 ' A' ' 30' ' ' VAL . 10.6 pm0 -68.69 -26.24 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.86 51.79 0.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.482 HG23 ' HG2' ' A' ' 28' ' ' GLU . 17.0 t -130.65 115.49 31.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 111.15 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 23' ' ' ASP . . . -66.13 119.74 11.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' O ' HG22 ' A' ' 24' ' ' VAL . 4.1 mm? -122.11 165.74 15.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.68 HG23 ' HB3' ' A' ' 22' ' ' GLU . 2.0 m -124.54 121.49 34.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.735 HG13 HG12 ' A' ' 122' ' ' VAL . 75.6 t -126.03 108.13 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.547 HG21 ' HD3' ' A' ' 120' ' ' LYS . 42.0 m -55.61 -58.46 7.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.97 147.63 0.33 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.474 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.474 HG13 HE22 ' A' ' 18' ' ' GLN . 54.4 t -152.11 114.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 111.129 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -135.74 129.44 32.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.463 ' HG2' HD12 ' A' ' 115' ' ' LEU . 12.3 tt0 -84.36 131.29 34.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 41' ' ' LYS . 8.6 p -128.28 162.5 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.513 ' N ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -155.39 152.43 29.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.65 HD13 ' CD1' ' A' ' 112' ' ' ILE . 7.7 mm -73.92 129.43 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.9 mtm -67.82 163.42 21.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.24 156.15 17.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 9.2 pt-20 -74.62 93.84 2.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -88.05 -48.62 7.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -166.63 114.35 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 61.8 51.87 3.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.74 HD13 ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -69.99 -2.17 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.49 -26.86 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p -54.42 -31.81 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 110' ' ' MET . . . -107.49 -39.8 5.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -38.51 -67.42 0.21 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -65.42 -22.18 66.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -36.34 83.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.526 ' CE1' HG23 ' A' ' 64' ' ' ILE . 26.6 m-85 -105.36 -50.7 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 56' ' ' PHE . 15.2 mt -33.97 134.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.91 -40.29 2.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -70.27 177.84 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.557 ' O ' HD12 ' A' ' 64' ' ' ILE . 39.0 m-20 -105.04 146.46 29.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -42.59 -32.99 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -71.68 -37.51 70.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 60' ' ' ASN . 1.7 m-20 -61.26 -51.45 68.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.641 ' H ' HD12 ' A' ' 64' ' ' ILE . 5.2 mp -54.45 -64.01 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -41.25 -38.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.968 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -70.34 -55.97 7.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.0 t -46.65 -58.18 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.5 t -55.99 -51.85 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 tp -50.8 -40.32 55.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.07 -50.47 73.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 83.6 m -46.17 -46.51 17.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -76.48 -35.09 58.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' GLY . 33.3 mt-10 -64.4 -69.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -37.78 -52.46 1.97 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 78' ' ' SER . 30.6 m-70 -56.91 -52.09 66.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.332 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.672 HD12 HG21 ' A' ' 99' ' ' VAL . 3.4 tp -36.6 -50.57 0.81 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.569 ' HG2' HG11 ' A' ' 24' ' ' VAL . 10.3 mtp-105 -60.19 -43.66 95.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' HIS . 12.7 t -59.64 -50.83 72.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.515 HG21 ' HB2' ' A' ' 98' ' ' LEU . 17.3 mm -67.83 -24.89 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.602 HD13 HG21 ' A' ' 24' ' ' VAL . 6.2 tt -78.24 -35.48 48.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.03 -51.06 60.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -69.02 -19.17 64.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.761 0.315 . . . . 0.0 111.096 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.712 HD22 ' CD1' ' A' ' 95' ' ' PHE . 8.8 tp -89.56 161.96 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.452 HG22 ' HB3' ' A' ' 27' ' ' ALA . 71.4 p -114.09 141.04 47.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.688 HG23 HG21 ' A' ' 26' ' ' THR . 36.7 t -36.79 -63.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 85' ' ' VAL . 20.6 mt-10 -37.12 -51.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -58.82 -58.22 9.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.668 HG12 HD23 ' A' ' 83' ' ' LEU . 80.1 mt -42.71 -43.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.487 ' CZ ' HG23 ' A' ' 122' ' ' VAL . 21.6 m-85 -74.05 -61.17 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' TYR . 4.8 mt-30 -33.99 -62.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.09 99.88 4.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -77.53 -35.97 52.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -53.28 -49.53 66.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.849 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -59.76 -40.2 87.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.712 ' CD1' HD22 ' A' ' 83' ' ' LEU . 21.9 t80 -53.82 -61.5 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.524 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -47.85 -47.01 31.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 14.6 ttmt -44.97 -35.24 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.515 ' HB2' HG21 ' A' ' 79' ' ' ILE . 30.8 mt -76.37 -38.56 55.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.672 HG21 HD12 ' A' ' 76' ' ' LEU . 46.7 t -67.54 -42.03 86.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.479 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 28.5 ptt180 -76.79 -30.01 56.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 97' ' ' LYS . 3.9 mm-40 -70.14 -32.41 70.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 p -83.19 -31.17 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -81.9 -41.09 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.764 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.95 -60.09 0.49 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.764 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.8 Cg_endo -69.78 -22.31 32.16 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.239 . . . . 0.0 112.363 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 103' ' ' ALA . 3.9 t70 -75.46 -60.96 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.599 HG12 ' CE ' ' A' ' 110' ' ' MET . 6.6 m -48.84 -36.22 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.18 -24.76 1.6 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -63.47 -56.34 16.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.79 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.706 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 4.1 ptt? -67.51 -33.06 74.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.477 ' HA3' ' HB2' ' A' ' 52' ' ' ALA . . . 115.83 34.24 1.42 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.414 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.65 ' CD1' HD13 ' A' ' 42' ' ' ILE . 43.8 mm -118.78 146.91 22.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.82 0.343 . . . . 0.0 111.117 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -122.16 133.7 54.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.612 ' O ' HD12 ' A' ' 114' ' ' ILE . 2.5 pp -83.92 134.93 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.463 HD12 ' HG2' ' A' ' 39' ' ' GLN . 62.5 mt -94.61 -52.45 4.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.9 p -153.93 147.52 25.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.787 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.524 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -134.07 112.56 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.673 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.4 m -131.12 173.7 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.673 ' H ' HG22 ' A' ' 118' ' ' THR . 26.1 mm -110.48 127.35 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.547 ' HD3' HG21 ' A' ' 35' ' ' THR . 25.4 tttp -78.07 -59.3 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -170.19 141.78 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.735 HG12 HG13 ' A' ' 34' ' ' VAL . 11.2 m -118.19 128.06 75.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -137.05 172.77 12.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.36 115.34 30.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -67.86 -38.44 83.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.5 m -83.07 13.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 43.47 42.99 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.686 ' CE2' HD11 ' A' ' 132' ' ' LEU . 48.5 t80 -56.76 -72.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.591 ' HA ' HD12 ' A' ' 132' ' ' LEU . 5.2 mp -40.42 -55.53 2.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.95 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.3 t -47.79 -45.95 30.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.9 t -60.16 -46.23 90.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.686 HD11 ' CE2' ' A' ' 128' ' ' TYR . 37.1 mt -53.89 -34.52 59.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 142.57 109.1 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.424 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -60.16 152.04 25.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 88.3 m -116.41 123.73 48.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -119.0 118.49 31.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.8 p -87.96 115.29 25.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 35.4 t -76.47 91.23 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 160.88 174.86 31.25 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 154.16 68.1 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.679 2.253 . . . . 0.0 112.307 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 60.3 m -91.6 42.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.4 m -71.25 -61.18 1.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.9 p -89.55 95.33 10.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.389 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 p -124.91 157.26 36.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.89 177.34 21.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -91.92 145.65 24.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m -41.87 124.68 2.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.21 57.43 0.38 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -113.32 27.58 9.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.705 0.288 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -57.63 156.58 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 9' ' ' ARG . 15.8 tt -36.36 153.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.6 t -164.88 117.07 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.52 119.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -152.71 155.34 37.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -96.28 142.85 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.566 ' HG3' HG13 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -130.73 135.72 48.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.474 ' C ' HD12 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -91.81 113.15 25.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 16' ' ' THR . 11.0 mp -121.86 125.26 46.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.511 ' HG2' HG22 ' A' ' 37' ' ' VAL . 18.4 mp0 -106.87 96.91 15.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 54.0 Cg_endo -69.75 101.61 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.735 2.29 . . . . 0.0 112.346 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 35' ' ' THR . 50.7 mtt180 -101.58 163.73 12.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -144.24 120.71 11.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.82 154.02 45.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.4 25.73 14.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 24' ' ' VAL . 20.2 m -100.24 103.39 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -64.74 123.62 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.606 HG21 ' CG2' ' A' ' 85' ' ' VAL . 20.8 p -63.51 -178.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.71 ' HB3' HG22 ' A' ' 84' ' ' THR . . . -48.21 -55.16 11.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.07 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 11.4 pt-20 -61.12 -50.93 71.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 139.57 54.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.439 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.58 HG12 ' CD2' ' A' ' 32' ' ' LEU . 93.3 t -135.59 117.23 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 111.132 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.04 116.13 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.58 ' CD2' HG12 ' A' ' 30' ' ' VAL . 3.9 mm? -115.62 154.87 28.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.759 HG21 ' CZ ' ' A' ' 123' ' ' TYR . 17.5 m -114.53 118.27 33.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.3 t -126.81 112.08 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 32.6 m -64.59 -63.95 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.25 152.15 1.95 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.733 HG23 ' HB2' ' A' ' 120' ' ' LYS . 16.0 t -145.43 129.86 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 111.095 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.36 154.49 42.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -109.76 122.48 47.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.566 HG13 ' HG3' ' A' ' 15' ' ' MET . 7.8 p -123.83 158.02 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' N ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -159.37 154.06 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.786 HD13 ' CD1' ' A' ' 112' ' ' ILE . 17.7 mm -66.44 134.59 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.471 ' CG ' ' HB2' ' A' ' 113' ' ' GLU . 9.4 mtt -67.77 167.96 12.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.97 163.21 12.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.483 ' HA ' HD23 ' A' ' 49' ' ' LEU . 13.6 pt-20 -112.16 116.75 30.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 tmtm? -93.5 -52.45 4.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -122.77 -59.0 1.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.4 mt -134.19 129.55 35.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -127.22 33.76 4.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.71 -1.66 14.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.552 HG13 ' N ' ' A' ' 52' ' ' ALA . 11.5 p -80.78 -47.8 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.855 ' HB2' ' HA3' ' A' ' 111' ' ' GLY . . . -94.64 -20.57 19.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.8 m -63.57 -63.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -69.22 -22.57 63.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.975 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -70.05 -31.44 69.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' LEU . 23.7 m-85 -105.53 -54.83 2.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' PHE . 60.6 mt -36.98 139.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.94 -25.25 24.7 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.495 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -100.0 176.16 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -97.71 152.17 19.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.7 m -50.84 -21.12 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -72.23 -40.89 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.955 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.4 m-20 -61.39 -37.99 85.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.2 mp -63.3 -64.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.05 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -38.44 -49.27 1.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -60.52 -57.1 14.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 63' ' ' ASP . 45.9 t -46.64 -58.89 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.17 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.542 HG13 ' HE3' ' A' ' 110' ' ' MET . 45.4 t -55.05 -47.15 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.3 tp -58.23 -37.95 75.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -60.67 -45.06 95.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.546 HG21 HG13 ' A' ' 107' ' ' VAL . 75.5 m -55.27 -57.57 11.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.35 -43.0 98.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 76' ' ' LEU . 12.7 mt-10 -62.39 -69.85 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -34.83 -48.43 0.71 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 71' ' ' THR . 43.0 m-70 -61.33 -44.41 97.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.967 HD12 HG21 ' A' ' 99' ' ' VAL . 13.9 tp -52.73 -38.8 61.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -67.19 -45.6 76.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 t -63.83 -48.8 75.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.5 mm -59.23 -37.55 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.69 ' HG ' HD11 ' A' ' 88' ' ' ILE . 7.7 tt -72.77 -32.04 65.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -61.23 -48.74 84.01 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 t -72.96 -16.05 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.766 0.317 . . . . 0.0 111.133 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.68 HD22 ' HB3' ' A' ' 87' ' ' GLN . 12.3 mt -102.03 139.53 37.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.71 HG22 ' HB3' ' A' ' 27' ' ' ALA . 57.5 p -84.88 154.17 22.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.606 ' CG2' HG21 ' A' ' 26' ' ' THR . 17.0 t -40.53 -56.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -51.64 -58.12 7.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.68 ' HB3' HD22 ' A' ' 83' ' ' LEU . 16.0 mt-30 -43.29 -39.34 3.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.69 HD11 ' HG ' ' A' ' 80' ' ' LEU . 54.8 mt -65.95 -67.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.484 ' HE1' HG13 ' A' ' 122' ' ' VAL . 36.6 m-85 -49.09 -53.08 22.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' TYR . 7.9 mm-40 -37.61 -63.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -126.06 105.95 9.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.618 ' HD3' HG21 ' A' ' 119' ' ' ILE . 48.2 mtt180 -76.82 -43.81 35.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -53.79 -46.98 71.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -58.02 -66.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.511 ' O ' HG23 ' A' ' 99' ' ' VAL . 19.5 t80 -41.0 -52.41 3.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.511 ' HB1' ' HD1' ' A' ' 117' ' ' PHE . . . -55.87 -44.15 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -57.56 -47.17 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.79 -13.71 4.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.967 HG21 HD12 ' A' ' 76' ' ' LEU . 21.2 t -95.11 -37.7 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.482 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 13.2 ptt180 -76.9 -39.27 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.89 -33.72 74.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.0 p -78.4 -29.29 14.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.35 -32.7 19.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.744 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -42.51 -59.19 3.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.744 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.1 Cg_endo -69.72 -8.82 24.58 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.727 2.285 . . . . 0.0 112.345 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.22 -61.29 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.628 HG12 ' CE ' ' A' ' 110' ' ' MET . 11.3 m -47.51 -37.63 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -45.14 -28.38 1.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.532 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -61.51 -57.2 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.628 ' CE ' HG12 ' A' ' 107' ' ' VAL . 5.2 ptt? -65.02 -33.05 75.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.855 ' HA3' ' HB2' ' A' ' 52' ' ' ALA . . . 116.09 29.62 2.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.786 ' CD1' HD13 ' A' ' 42' ' ' ILE . 29.3 mm -116.98 138.59 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 111.118 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.471 ' HB2' ' CG ' ' A' ' 43' ' ' MET . 3.5 tp10 -113.96 128.95 56.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.427 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.3 pp -80.49 145.99 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 77.5 mt -102.15 -52.37 3.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.8 p -156.6 161.73 39.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.511 ' HD1' ' HB1' ' A' ' 96' ' ' ALA . 2.7 t80 -143.61 126.53 16.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.643 HG22 ' H ' ' A' ' 119' ' ' ILE . 4.7 m -146.29 171.1 15.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.643 ' H ' HG22 ' A' ' 118' ' ' THR . 46.6 mm -98.33 140.45 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.733 ' HB2' HG23 ' A' ' 37' ' ' VAL . 21.9 tptp -99.87 -69.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.89 143.73 26.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.484 HG13 ' HE1' ' A' ' 89' ' ' TYR . 2.9 p -134.14 129.17 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.759 ' CZ ' HG21 ' A' ' 33' ' ' THR . 2.5 p90 -136.86 170.94 15.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.94 119.23 34.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -58.69 -32.51 69.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.0 m -88.63 -22.91 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.154 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.4 t70 58.6 44.29 17.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -72.83 -57.64 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.6 ' H ' HD12 ' A' ' 129' ' ' LEU . 3.3 mp -63.67 -42.32 98.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.9 m -58.4 -17.88 23.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.0 m -100.47 31.35 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 37.6 mt -104.63 -35.46 7.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 159.25 -58.46 0.33 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.44 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -55.19 145.03 22.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.381 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 19.1 p -139.7 175.24 9.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -50.56 147.16 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.5 t -85.98 -27.61 24.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.9 t -147.05 167.96 22.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -137.96 171.98 23.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 141' ' ' SER . 54.0 Cg_endo -69.74 -4.48 14.11 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.64 2.227 . . . . 0.0 112.39 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 140' ' ' PRO . 43.9 m -36.97 -52.85 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.9 m -124.35 165.56 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.3 p 44.0 42.06 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -79.84 152.58 29.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.26 85.88 0.32 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -42.26 -50.95 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m -114.34 100.98 8.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.01 75.35 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -86.07 -14.04 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.4 159.01 22.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.5 tt -53.48 146.84 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.5 t -103.67 141.01 36.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 pp -121.47 -37.03 2.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -39.66 146.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 40' ' ' VAL . 31.1 mt -53.72 129.45 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.712 ' O ' HG12 ' A' ' 40' ' ' VAL . 45.4 mtm -101.96 121.2 41.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.8 m -85.29 102.6 13.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.482 ' CD1' HG11 ' A' ' 40' ' ' VAL . 37.9 mt -109.97 126.96 54.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.407 ' HG2' HG22 ' A' ' 37' ' ' VAL . 37.3 mt-30 -101.99 97.68 8.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.691 0.758 . . . . 0.0 110.939 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 79.98 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.693 2.262 . . . . 0.0 112.321 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -95.37 141.24 29.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.455 ' HB3' HD23 ' A' ' 76' ' ' LEU . 13.8 p -129.52 124.12 33.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -124.17 143.45 50.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.408 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 7.7 m-20 66.43 49.77 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.834 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 24' ' ' VAL . 35.6 m -119.22 88.71 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -53.76 126.46 22.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 30' ' ' VAL . 18.0 p -72.32 -175.08 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.83 -55.19 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.498 ' HG3' HG23 ' A' ' 30' ' ' VAL . 7.8 pt-20 -63.32 -40.43 97.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.46 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 124.38 46.51 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.732 HG12 ' CD2' ' A' ' 32' ' ' LEU . 86.1 t -122.04 100.26 8.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.358 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB1' ' HA ' ' A' ' 23' ' ' ASP . . . -57.3 115.93 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.732 ' CD2' HG12 ' A' ' 30' ' ' VAL . 4.1 mm? -116.23 161.16 19.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.91 108.44 13.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.647 HG13 HG12 ' A' ' 122' ' ' VAL . 94.1 t -112.35 113.51 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.9 m -61.04 -55.77 28.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.74 145.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 120' ' ' LYS . 24.6 t -148.39 122.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 111.167 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.51 138.8 26.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.073 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.425 ' CG ' HG21 ' A' ' 14' ' ' ILE . 10.8 tt0 -93.42 136.97 33.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.712 HG12 ' O ' ' A' ' 15' ' ' MET . 8.4 p -133.91 161.22 41.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.621 ' HG2' HD21 ' A' ' 115' ' ' LEU . 35.3 pttt -151.35 152.35 33.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.626 HD13 ' CD1' ' A' ' 112' ' ' ILE . 37.5 mm -78.35 121.84 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.2 mtt -52.55 146.72 9.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.15 159.69 20.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.127 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.454 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . 7.4 pt-20 -108.85 104.94 14.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.823 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -83.06 -43.44 16.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -132.81 -61.75 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.5 mt -135.79 109.07 7.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.65 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -121.56 32.28 5.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.54 -22.15 66.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 52' ' ' ALA . 6.7 p -57.93 -42.03 81.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.735 ' HB2' ' HA3' ' A' ' 111' ' ' GLY . . . -100.79 -38.24 8.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.8 m -57.28 -57.17 13.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.09 -31.44 72.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -60.08 -42.09 93.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -84.78 -33.26 23.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 57' ' ' LEU . 12.8 mt -45.95 -39.55 9.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.59 -37.07 94.13 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.443 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -104.74 171.22 7.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.871 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.683 ' O ' HD12 ' A' ' 64' ' ' ILE . 66.5 m-80 -88.63 162.38 16.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.744 ' HA ' HD13 ' A' ' 64' ' ' ILE . 27.6 m -44.93 -45.58 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.501 ' N ' HG23 ' A' ' 61' ' ' VAL . 25.7 mt-30 -53.04 -52.1 59.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 59' ' ' LYS . 1.0 OUTLIER -45.89 -61.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.744 HD13 ' HA ' ' A' ' 61' ' ' VAL . 5.2 mp -35.59 -67.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 64' ' ' ILE . 36.4 mttt -34.96 -49.46 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -68.32 -55.09 13.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.4 t -44.09 -61.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.435 HG22 HG13 ' A' ' 112' ' ' ILE . 43.2 t -50.89 -50.37 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 tp -56.14 -40.22 73.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -59.26 -37.45 77.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 94.3 m -58.44 -57.07 14.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.1 mt -65.05 -48.05 75.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -49.88 -64.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.34 -59.21 2.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -48.26 -45.76 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.86 0.362 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.994 HD12 HG21 ' A' ' 99' ' ' VAL . 10.2 tp -51.67 -37.98 52.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.407 ' HG2' HG11 ' A' ' 24' ' ' VAL . 30.6 mtt180 -68.52 -36.97 79.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 t -69.29 -55.0 11.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.565 ' O ' HG22 ' A' ' 82' ' ' THR . 22.6 mm -56.71 -47.02 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.19 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.409 ' CD2' HG22 ' A' ' 26' ' ' THR . 4.2 tt -58.32 -44.73 88.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.967 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.75 -55.61 11.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 79' ' ' ILE . 10.0 t -63.24 -24.62 67.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.328 . . . . 0.0 111.166 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -91.35 124.24 35.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.1 p -65.35 153.89 39.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.656 ' HA ' HD12 ' A' ' 88' ' ' ILE . 6.2 p -52.56 -43.77 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.424 ' N ' HG13 ' A' ' 85' ' ' VAL . 21.0 mp0 -56.71 -59.83 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -44.4 -56.05 4.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 85' ' ' VAL . 48.0 mt -40.91 -58.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -57.93 -57.87 10.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -44.65 -61.84 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.32 90.5 3.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -88.64 -29.68 19.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.3 -44.86 68.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -69.07 -42.53 76.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -48.46 -40.92 27.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.1 -45.37 88.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -53.87 -43.34 69.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.59 -37.06 75.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.994 HG21 HD12 ' A' ' 76' ' ' LEU . 41.8 t -66.01 -61.93 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.472 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 4.9 ptm180 -58.61 -26.97 64.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -73.43 -39.73 64.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 99' ' ' VAL . 10.3 p -80.57 -23.43 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -90.63 -39.17 12.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.804 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -37.89 -60.72 0.9 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.804 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.1 Cg_endo -69.74 -16.15 37.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.305 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 103' ' ' ALA . 12.3 t70 -80.29 -60.48 2.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.405 HG21 HG23 ' A' ' 114' ' ' ILE . 8.9 m -44.87 -37.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -47.61 -34.07 9.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.5 ptt85 -55.26 -43.65 74.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -83.8 -31.96 25.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.735 ' HA3' ' HB2' ' A' ' 52' ' ' ALA . . . 115.23 25.07 3.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.626 ' CD1' HD13 ' A' ' 42' ' ' ILE . 14.8 mm -107.46 132.28 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.068 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -107.27 132.38 53.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.442 ' O ' HD12 ' A' ' 114' ' ' ILE . 2.2 pp -92.09 137.2 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.621 HD21 ' HG2' ' A' ' 41' ' ' LYS . 2.8 mm? -87.27 -55.2 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 m -158.48 172.57 18.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.472 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -147.57 131.17 16.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.678 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.5 m -149.7 173.36 13.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.678 ' H ' HG22 ' A' ' 118' ' ' THR . 49.8 mm -107.69 134.09 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.458 ' HB2' HG23 ' A' ' 37' ' ' VAL . 25.0 tptt -90.89 -62.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -163.44 134.91 4.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.647 HG12 HG13 ' A' ' 34' ' ' VAL . 4.5 m -122.12 133.52 68.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -136.83 172.8 12.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.91 114.59 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -68.21 -41.68 80.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 29.7 m -76.09 -17.48 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.6 t70 54.95 43.75 29.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -77.18 -67.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.675 HD12 ' N ' ' A' ' 130' ' ' SER . 3.6 pp -63.49 -42.69 98.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.675 ' N ' HD12 ' A' ' 129' ' ' LEU . 39.3 t -58.26 -38.55 77.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.0 t -57.89 -53.63 56.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 50.9 mt -52.84 -33.05 47.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 54.32 91.11 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.464 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -91.7 61.25 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 52.6 p -123.35 120.7 33.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.155 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -159.69 156.1 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 138' ' ' SER . 12.8 t -109.24 42.61 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 137' ' ' THR . 26.6 m -35.16 130.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -154.02 -172.59 22.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -34.09 15.25 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.7 m -89.89 159.89 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 72.5 m -134.08 146.22 50.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -38.13 151.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 110.83 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -98.1 81.08 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.62 98.58 0.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -102.46 163.63 12.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -88.35 -44.9 10.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.56 139.54 33.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.531 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -99.49 41.57 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.349 . . . . 0.0 110.956 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -99.69 159.85 14.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.7 tt -55.72 152.3 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 t -95.17 143.44 26.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 mt -120.12 -44.84 2.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.447 ' HG2' ' N ' ' A' ' 14' ' ' ILE . 28.9 tt0 -47.86 154.78 0.48 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.447 ' N ' ' HG2' ' A' ' 13' ' ' GLU . 58.7 mt -71.5 141.6 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.182 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -112.09 140.39 46.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.2 m -97.66 101.2 12.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.534 HD12 HG11 ' A' ' 40' ' ' VAL . 65.4 mt -110.96 117.43 33.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -104.9 97.53 13.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.933 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 53.5 Cg_endo -69.82 102.14 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -108.54 154.24 22.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.0 m -141.44 124.97 16.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.6 ' HG2' HG23 ' A' ' 33' ' ' THR . 61.0 mt-10 -119.96 158.27 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.5 p-10 46.61 52.04 11.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 24' ' ' VAL . 13.3 m -117.82 90.68 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.423 ' HA ' ' C ' ' A' ' 30' ' ' VAL . 47.1 mt-10 -53.51 126.46 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.681 HG23 HD23 ' A' ' 32' ' ' LEU . 41.2 p -71.37 -175.86 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -45.22 -57.15 4.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -62.57 -30.92 71.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.38 40.15 0.75 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.516 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.434 ' O ' HD23 ' A' ' 32' ' ' LEU . 88.9 t -116.07 115.6 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.7 121.36 13.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.681 HD23 HG23 ' A' ' 26' ' ' THR . 4.1 mm? -118.24 159.32 23.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.647 HG21 ' CE2' ' A' ' 123' ' ' TYR . 57.3 m -126.54 105.76 8.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.7 t -116.42 109.25 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.5 m -55.58 -52.95 62.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.42 137.19 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.6 t -145.62 121.69 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.58 155.05 45.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.059 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.782 ' HG2' HD12 ' A' ' 115' ' ' LEU . 10.9 tt0 -112.34 133.04 54.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.534 HG11 HD12 ' A' ' 17' ' ' LEU . 8.6 p -129.34 161.49 38.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.503 ' N ' HG22 ' A' ' 40' ' ' VAL . 23.4 pttt -153.88 143.05 21.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.511 HD11 HG21 ' A' ' 64' ' ' ILE . 3.4 mm -64.55 125.11 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.4 mtt -51.77 -179.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.94 158.82 17.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.469 ' CB ' ' HB2' ' A' ' 49' ' ' LEU . 10.8 pt-20 -106.19 116.39 31.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -94.89 -40.57 9.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.823 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.605 ' C ' HD12 ' A' ' 48' ' ' LEU . 11.4 pt-20 -132.46 -49.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.605 HD12 ' C ' ' A' ' 47' ' ' GLU . 5.4 mp -151.39 123.4 8.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.642 HD13 ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -117.72 21.25 13.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.37 -14.17 25.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.415 ' H ' HG12 ' A' ' 51' ' ' VAL . 1.3 p -66.08 -39.64 85.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.608 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -108.03 -32.97 7.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.89 -25.6 67.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -80.8 -33.31 34.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.484 ' HG3' ' CD1' ' A' ' 56' ' ' PHE . 3.8 pt20 -81.18 -3.74 53.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.608 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 21.3 m-85 -111.28 -42.88 3.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.6 mt -48.03 149.78 1.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.03 -33.93 2.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' HE3' ' CG ' ' A' ' 63' ' ' ASP . 6.3 mtpp -94.33 171.49 8.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.328 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.578 ' OD1' HG22 ' A' ' 61' ' ' VAL . 2.9 t-20 -98.75 177.33 5.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.578 HG22 ' OD1' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -60.58 -27.79 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.468 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 43.0 mt-30 -61.83 -34.36 75.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.738 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.0 m-20 -69.25 -47.54 64.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.511 HG21 HD11 ' A' ' 42' ' ' ILE . 4.2 mp -60.79 -53.12 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -53.26 -38.09 62.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 62' ' ' GLN . 40.2 m-20 -71.46 -64.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 63' ' ' ASP . 58.5 t -39.36 -58.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.516 HG11 HG21 ' A' ' 40' ' ' VAL . 57.0 t -54.48 -47.52 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 tp -56.34 -45.79 80.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -50.55 -52.37 39.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.45 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 57.9 m -44.42 -60.22 2.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.8 mt -63.82 -58.62 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -37.4 -61.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.46 -50.4 30.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 71' ' ' THR . 66.8 m-70 -54.98 -38.66 68.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.975 HD12 HG21 ' A' ' 99' ' ' VAL . 7.3 tp -59.46 -47.03 87.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.7 ttp-105 -60.1 -49.85 76.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 t -58.52 -56.2 25.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.0 mm -55.44 -29.38 23.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.552 HD23 HG22 ' A' ' 26' ' ' THR . 2.5 tt -75.48 -47.04 28.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -54.01 -56.24 21.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 83' ' ' LEU . 9.0 t -55.57 -40.43 71.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.419 ' N ' HG23 ' A' ' 82' ' ' THR . 13.5 mt -75.95 158.7 31.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' VAL . 18.7 p -97.68 138.74 34.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.652 HG13 ' OE1' ' A' ' 86' ' ' GLU . 2.5 p -37.67 -36.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.652 ' OE1' HG13 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -63.24 -49.24 74.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -61.59 -36.6 81.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.6 mt -62.68 -49.45 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.437 ' O ' ' C ' ' A' ' 90' ' ' GLN . 11.6 m-85 -69.52 -45.07 69.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 89' ' ' TYR . 23.7 mm-40 -35.12 -62.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.89 106.84 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -68.03 -43.02 79.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -50.53 -54.1 25.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -60.08 -46.85 88.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -48.29 -58.76 4.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.479 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -55.64 -41.04 72.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -48.33 -35.23 11.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.401 ' O ' HG12 ' A' ' 102' ' ' VAL . 7.4 mp -72.84 -33.89 66.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.975 HG21 HD12 ' A' ' 76' ' ' LEU . 45.3 t -69.76 -47.07 72.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.487 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 25.9 ptt180 -71.7 -21.69 61.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.426 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 17.3 mt-10 -79.35 -39.79 31.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.402 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 11.0 p -79.25 -20.55 12.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.46 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -93.02 -36.74 12.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.743 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -42.75 -58.44 3.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.566 0.698 . . . . 0.0 111.08 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 52.5 Cg_endo -69.79 -12.38 32.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.271 . . . . 0.0 112.306 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 102' ' ' VAL . 1.1 m-20 -86.19 -62.01 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.599 HG12 ' CE ' ' A' ' 110' ' ' MET . 4.1 m -43.79 -41.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.78 -34.39 1.86 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.545 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -52.69 -53.76 43.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.599 ' CE ' HG12 ' A' ' 107' ' ' VAL . 5.8 ptt? -71.47 -37.01 71.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.95 34.07 1.01 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.474 ' CD1' HD13 ' A' ' 42' ' ' ILE . 47.9 mm -118.74 140.44 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 111.061 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -115.36 126.16 54.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.413 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.4 pp -78.15 142.72 13.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.782 HD12 ' HG2' ' A' ' 39' ' ' GLN . 46.8 mt -94.01 -48.64 6.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.4 t -167.44 163.95 14.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.807 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.487 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.8 OUTLIER -142.14 122.28 13.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.932 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.7 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.6 m -136.01 175.67 9.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.7 ' H ' HG22 ' A' ' 118' ' ' THR . 49.0 mm -118.55 122.75 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -74.33 -61.4 1.88 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -156.44 143.8 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 p -129.77 121.94 53.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.647 ' CE2' HG21 ' A' ' 33' ' ' THR . 3.2 p90 -137.07 165.08 26.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.18 115.01 29.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -54.78 -41.4 70.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 17.6 m -80.35 -6.93 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 38.06 42.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -69.07 -43.43 74.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.3 mp -77.01 -25.35 52.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.7 m -76.67 -25.73 54.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -99.03 31.03 3.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 41.3 mt -79.86 -33.91 39.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 106.99 45.85 1.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.462 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -122.0 122.65 39.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.4 m -140.87 133.91 29.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -109.47 94.42 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 33.6 p -142.67 169.56 17.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.8 t -144.72 128.33 17.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.804 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 76.37 174.93 39.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.68 104.51 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.362 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 72.8 p -72.29 142.05 48.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.5 m -57.12 135.96 56.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.565 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -62.99 119.95 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 110.794 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -115.59 129.08 56.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.4 128.55 1.65 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -46.1 162.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.3 p -163.39 118.71 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.91 -118.99 1.24 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -100.01 -13.99 18.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 0.0 110.927 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -80.43 145.11 32.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.4 tp -94.62 143.05 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 t -84.56 130.71 34.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' GLU . 34.3 mt -113.02 -43.3 3.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 12' ' ' LEU . 7.9 tp10 -34.68 150.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.41 ' N ' ' HG3' ' A' ' 13' ' ' GLU . 69.5 mt -62.19 122.44 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.172 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.488 ' CG ' HG13 ' A' ' 40' ' ' VAL . 3.1 ptt? -99.36 129.87 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.2 m -93.66 112.95 24.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.408 ' CD1' HG11 ' A' ' 40' ' ' VAL . 13.7 mt -114.2 123.21 49.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.616 ' HG2' HG22 ' A' ' 37' ' ' VAL . 56.0 mt-30 -102.61 97.57 9.31 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.729 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' O ' HD22 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.72 87.21 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.617 2.211 . . . . 0.0 112.346 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -101.69 142.87 32.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.2 m -133.4 121.33 22.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.48 141.83 48.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t0 71.35 52.21 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 24' ' ' VAL . 17.1 m -124.09 94.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.431 ' HA ' ' C ' ' A' ' 30' ' ' VAL . 29.6 mt-10 -56.15 121.03 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.533 HG21 HG23 ' A' ' 85' ' ' VAL . 71.4 p -60.67 -176.55 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -47.02 -57.68 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.563 ' HG3' HG23 ' A' ' 30' ' ' VAL . 7.4 pt-20 -59.54 -53.69 55.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 143.32 51.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.596 ' O ' HD23 ' A' ' 32' ' ' LEU . 23.6 t -129.67 107.84 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 111.11 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.96 111.85 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 30' ' ' VAL . 4.0 mm? -111.06 165.72 11.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.81 115.64 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.779 HG22 HG22 ' A' ' 122' ' ' VAL . 75.4 t -123.92 125.17 70.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.5 m -75.32 -61.71 1.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.23 136.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.616 HG22 ' HG2' ' A' ' 18' ' ' GLN . 5.5 t -135.5 128.32 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 116' ' ' SER . . . -148.26 152.67 37.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.072 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -109.24 145.21 36.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.591 ' HA ' HD23 ' A' ' 115' ' ' LEU . 9.9 p -146.82 159.69 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.169 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.934 ' HG2' HD21 ' A' ' 115' ' ' LEU . 12.7 pttt -156.95 151.15 25.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.472 HG13 ' CD1' ' A' ' 112' ' ' ILE . 1.3 mp -73.92 119.09 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.07 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 31.6 mtm -59.76 158.65 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.913 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.98 163.93 22.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.706 ' HA ' HD23 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -74.23 93.43 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -87.94 -55.9 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -154.35 112.19 3.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.7 mt 57.66 53.3 7.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.716 HD13 ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -60.88 -14.76 24.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.916 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.72 -33.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.522 HG13 ' N ' ' A' ' 52' ' ' ALA . 7.3 p -48.06 -47.81 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.767 ' HB2' ' O ' ' A' ' 110' ' ' MET . . . -102.98 -28.19 12.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.79 -66.89 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -65.85 -33.9 76.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -57.02 -35.19 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.618 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 20.1 m-85 -94.65 -51.35 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' PHE . 35.5 mt -37.26 -52.94 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -49.07 -39.71 27.05 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 56' ' ' PHE . 7.7 mtpp -100.19 178.38 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.445 ' O ' HD12 ' A' ' 64' ' ' ILE . 69.6 m-20 -84.08 177.15 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.822 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.575 ' HA ' HD13 ' A' ' 64' ' ' ILE . 23.8 m -70.11 -39.35 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -51.99 -47.83 64.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 64' ' ' ILE . 2.2 m-20 -49.27 -59.21 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.575 HD13 ' HA ' ' A' ' 61' ' ' VAL . 2.9 mp -35.75 -67.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -38.75 -51.73 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' VAL . 23.5 m-80 -63.15 -62.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' ASN . 73.6 t -37.11 -50.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.8 t -66.16 -59.89 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 tp -45.62 -33.19 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -64.8 -40.46 95.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.497 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 19.7 m -58.26 -53.65 55.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.9 mt -67.1 -40.82 87.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -61.04 -44.54 97.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.24 -43.36 99.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 90.4 m-70 -65.51 -43.66 89.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.368 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.922 HD12 HG21 ' A' ' 99' ' ' VAL . 4.5 tp -50.6 -51.95 43.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.488 ' HG2' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -54.22 -48.24 71.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.64 ' O ' HG22 ' A' ' 82' ' ' THR . 7.5 t -58.28 -57.98 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.542 HG21 ' HB2' ' A' ' 98' ' ' LEU . 42.7 mm -55.24 -30.46 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.125 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.415 HD13 HG21 ' A' ' 24' ' ' VAL . 4.6 tt -73.84 -57.85 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -47.72 -61.28 4.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.64 HG22 ' O ' ' A' ' 78' ' ' SER . 4.8 t -53.07 -18.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 0.0 111.081 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 79' ' ' ILE . 12.9 mt -97.81 163.76 12.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 85' ' ' VAL . 64.9 p -106.5 140.08 39.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.559 ' HA ' HD12 ' A' ' 88' ' ' ILE . 16.7 t -33.94 -52.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -51.08 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -38.3 -49.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 85' ' ' VAL . 58.2 mt -51.79 -52.93 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 90' ' ' GLN . 18.6 m-85 -62.74 -56.88 13.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 89' ' ' TYR . 5.6 mm-40 -35.75 -60.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.23 101.72 7.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -76.72 -56.64 4.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -47.83 -43.35 27.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -60.12 -47.1 87.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -48.87 -58.97 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.499 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -56.08 -40.32 73.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 32.5 ttmt -53.11 -33.74 53.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.542 ' HB2' HG21 ' A' ' 79' ' ' ILE . 28.1 mt -72.44 -45.54 59.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.922 HG21 HD12 ' A' ' 76' ' ' LEU . 21.2 t -61.6 -42.69 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.428 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 7.6 ptm180 -72.62 -27.2 62.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 97' ' ' LYS . 4.8 mm-40 -75.15 -36.53 61.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.3 p -82.37 -24.88 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.522 ' HB2' ' CD2' ' A' ' 75' ' ' HIS . . . -89.6 -30.55 18.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.79 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -47.57 -60.19 4.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.681 0.753 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.3 Cg_endo -69.74 -2.47 10.21 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.653 2.235 . . . . 0.0 112.398 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.47 -54.87 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.531 HG12 ' HE3' ' A' ' 110' ' ' MET . 19.1 m -55.56 -31.22 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.092 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.84 -23.35 37.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.533 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -65.76 -50.76 63.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.767 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 2.1 ptt? -70.82 -35.01 72.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 123.68 19.32 2.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.505 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.472 ' CD1' HG13 ' A' ' 42' ' ' ILE . 18.0 mm -113.03 142.93 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 111.159 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -118.97 134.76 54.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.569 ' O ' HD12 ' A' ' 114' ' ' ILE . 2.3 pp -81.92 134.91 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.934 HD21 ' HG2' ' A' ' 41' ' ' LYS . 4.0 mm? -85.94 -53.4 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.435 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 2.3 m -161.19 167.89 25.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.499 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.4 OUTLIER -146.04 125.43 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.847 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.664 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.8 m -139.68 173.56 11.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.664 ' H ' HG22 ' A' ' 118' ' ' THR . 19.9 mm -113.23 115.52 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 28.7 tptt -77.21 -72.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.76 148.81 52.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.779 HG22 HG22 ' A' ' 34' ' ' VAL . 29.3 t -142.74 105.04 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 123' ' ' TYR . 1.0 OUTLIER -127.25 170.47 12.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.479 ' OD2' ' N ' ' A' ' 128' ' ' TYR . 31.7 p-10 -111.79 120.86 43.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -61.39 -31.99 71.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 127' ' ' ASP . 33.0 m -83.75 7.9 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 126' ' ' VAL . 7.7 m-20 35.3 39.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.479 ' N ' ' OD2' ' A' ' 124' ' ' ASP . 1.2 t80 -55.94 -53.89 51.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.552 ' H ' HD12 ' A' ' 129' ' ' LEU . 5.6 mp -56.98 -45.17 83.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.9 t -62.82 -22.0 66.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.6 t -93.71 33.73 1.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 78.4 mt -106.33 -30.11 9.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -149.79 -67.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -72.46 143.39 48.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 16.9 p -111.23 64.87 0.61 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -125.77 156.05 40.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.3 t -112.83 145.49 40.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 90.0 p -169.32 115.8 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.793 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -141.66 85.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.538 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 137.15 34.99 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.737 2.291 . . . . 0.0 112.33 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 91.4 p -162.29 132.41 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.6 t -61.54 104.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.463 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -87.36 -44.27 11.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.879 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 t -153.57 136.37 15.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.29 -128.46 4.06 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.544 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -128.95 160.51 32.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 110.817 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -97.2 135.97 38.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.72 -166.77 10.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -132.57 42.92 3.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.974 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -164.12 135.72 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 tp -59.27 148.15 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.176 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.522 ' O ' ' N ' ' A' ' 13' ' ' GLU . 11.2 t -134.7 56.9 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' SER . 0.6 OUTLIER 34.63 31.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' ' 11' ' ' SER . 12.1 pt-20 -68.24 160.2 29.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.4 mt -99.72 139.25 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.414 ' O ' HG12 ' A' ' 40' ' ' VAL . 22.3 mtm -120.69 138.91 53.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.401 ' CA ' HE22 ' A' ' 39' ' ' GLN . 33.4 m -103.9 105.56 15.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.1 mt -115.13 131.63 56.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.419 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -117.73 97.39 50.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.521 0.677 . . . . 0.0 110.914 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.4 Cg_endo -69.76 112.9 3.2 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.639 2.226 . . . . 0.0 112.367 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -112.87 144.41 42.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -135.45 116.23 14.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.554 ' CB ' HG23 ' A' ' 33' ' ' THR . 12.0 pt-20 -122.17 152.2 40.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 60.69 47.01 8.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 24' ' ' VAL . 18.6 m -116.68 91.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -51.27 113.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 30' ' ' VAL . 25.8 p -62.71 -178.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.15 -54.39 31.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.745 ' CD ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -59.16 -32.82 70.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 115.41 51.03 0.44 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 26' ' ' THR . 93.2 t -137.14 120.55 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.476 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -69.55 124.47 24.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.476 HD22 ' O ' ' A' ' 31' ' ' ALA . 2.7 mm? -121.2 165.79 14.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.554 HG23 ' CB ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -131.21 110.59 11.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.137 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.508 HG22 HG23 ' A' ' 122' ' ' VAL . 80.3 t -121.09 111.19 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.6 m -57.31 -53.9 52.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.03 138.31 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.458 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.6 t -145.91 128.17 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.8 149.34 36.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.401 HE22 ' CA ' ' A' ' 16' ' ' THR . 37.3 tp60 -105.31 124.42 49.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 15' ' ' MET . 4.2 p -121.16 162.16 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.02 149.96 20.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.613 HD13 ' CD1' ' A' ' 112' ' ' ILE . 35.3 mm -67.01 139.39 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.476 ' HE1' ' HB2' ' A' ' 113' ' ' GLU . 8.4 mtm -80.07 139.72 36.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.509 HG22 ' H ' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -48.77 170.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' H ' HG22 ' A' ' 44' ' ' THR . 0.6 OUTLIER -99.25 31.09 3.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.97 -38.45 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 49' ' ' LEU . 73.5 mm-40 -131.15 179.21 6.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -36.88 92.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.676 HD13 ' O ' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -87.66 19.4 3.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.22 2.68 6.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 p -86.28 -32.82 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.33 -34.16 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.167 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -46.15 -68.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.43 -10.8 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -83.6 -22.18 32.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.618 ' HZ ' HD11 ' A' ' 112' ' ' ILE . 19.0 m-85 -117.63 -51.71 2.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.2 mt -38.74 131.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.29 -48.52 1.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -74.96 -175.63 2.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 63' ' ' ASP . 64.4 m-80 -110.63 150.43 29.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.452 HG23 ' H ' ' A' ' 62' ' ' GLN . 3.4 m -38.85 -51.46 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.452 ' H ' HG23 ' A' ' 61' ' ' VAL . 5.3 pt20 -47.81 -40.63 21.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 60' ' ' ASN . 14.0 t0 -59.13 -66.82 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.801 ' H ' HD12 ' A' ' 64' ' ' ILE . 5.0 mp -41.55 -58.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -45.1 -41.85 8.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -64.34 -56.69 12.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.5 t -47.14 -61.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.545 HG22 HG13 ' A' ' 112' ' ' ILE . 59.5 t -58.76 -48.71 85.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.75 -39.67 58.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -58.42 -54.36 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.547 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 38.0 m -42.46 -54.03 4.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD23 ' CB ' ' A' ' 103' ' ' ALA . 68.4 mt -66.09 -54.86 20.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -46.65 -66.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -36.91 -54.5 1.46 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.425 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.547 ' CD2' ' O ' ' A' ' 71' ' ' THR . 75.1 m-70 -53.24 -52.55 58.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.662 HD12 HG21 ' A' ' 99' ' ' VAL . 20.7 tp -39.37 -53.78 1.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.419 ' HG2' HG11 ' A' ' 24' ' ' VAL . 3.7 tmm_? -61.01 -41.23 96.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.8 m -62.01 -58.82 6.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.416 HG21 ' HB2' ' A' ' 98' ' ' LEU . 34.4 mm -57.01 -25.14 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.605 ' CD2' HG22 ' A' ' 26' ' ' THR . 4.1 tt -80.49 -39.22 28.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.76 -49.0 73.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.7 t -68.33 -23.76 64.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.798 0.332 . . . . 0.0 111.174 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.5 mt -93.47 160.7 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -95.99 166.13 11.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.421 ' HA ' HD12 ' A' ' 88' ' ' ILE . 1.5 p -64.75 -42.8 95.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -61.36 -38.17 85.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -64.56 -50.34 67.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.435 HD11 ' HG ' ' A' ' 80' ' ' LEU . 36.0 mt -50.17 -39.3 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' GLN . 14.3 m-85 -76.15 -48.23 21.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' TYR . 4.6 mm100 -35.3 -62.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -144.6 107.23 4.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -75.54 -41.71 54.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -46.76 -42.54 17.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.429 ' NE2' HD21 ' A' ' 98' ' ' LEU . 16.7 tm0? -68.81 -43.79 74.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -52.39 -63.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -45.54 -46.56 14.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -47.65 -40.96 21.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.429 HD21 ' NE2' ' A' ' 94' ' ' GLN . 16.8 mt -70.73 -39.56 73.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.662 HG21 HD12 ' A' ' 76' ' ' LEU . 61.3 t -64.16 -37.21 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.529 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 11.3 ptm180 -80.68 -24.34 38.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 8.8 mt-10 -76.08 -40.32 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.88 -25.08 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.534 ' HB2' ' CD2' ' A' ' 75' ' ' HIS . . . -94.41 -39.57 10.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.764 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.4 -60.24 0.43 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 111.069 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.764 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.7 Cg_endo -69.74 -28.33 25.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.317 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 103' ' ' ALA . 27.4 t0 -64.78 -54.94 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.475 ' HA ' ' CE ' ' A' ' 110' ' ' MET . 19.7 m -59.66 -38.47 75.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -45.22 -31.66 3.24 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.441 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 109' ' ' ARG . 17.0 mtp-105 -65.21 -46.73 79.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 107' ' ' VAL . 3.4 mpp? -71.18 -36.49 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 122.73 12.04 5.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.618 HD11 ' HZ ' ' A' ' 56' ' ' PHE . 44.4 mm -105.42 136.9 37.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.773 0.321 . . . . 0.0 111.107 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.476 ' HB2' ' HE1' ' A' ' 43' ' ' MET . 0.0 OUTLIER -112.25 146.59 37.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.506 ' O ' HD12 ' A' ' 114' ' ' ILE . 2.0 pp -99.95 135.59 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.2 mt -91.14 -54.6 3.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 35.1 m -157.19 160.9 39.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -139.09 119.39 13.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.657 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.4 m -125.49 173.73 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.657 ' H ' HG22 ' A' ' 118' ' ' THR . 37.3 mm -119.26 103.85 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 31.0 tttm -54.68 -71.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -144.22 159.56 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.508 HG23 HG22 ' A' ' 34' ' ' VAL . 2.4 p -145.34 117.65 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.182 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -133.16 161.72 33.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.53 118.19 35.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -59.88 -33.77 72.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.423 HG23 ' H ' ' A' ' 128' ' ' TYR . 33.9 m -86.52 -7.65 10.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.177 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 126' ' ' VAL . 1.2 m-20 37.41 42.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.423 ' H ' HG23 ' A' ' 126' ' ' VAL . 1.3 t80 -61.71 -60.98 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.982 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.519 ' H ' HD12 ' A' ' 129' ' ' LEU . 5.6 mp -51.96 -29.05 18.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.3 t -82.79 -37.53 24.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.6 t -91.17 33.49 0.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 22.1 mt -71.0 -34.29 71.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 146.94 -50.24 0.6 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.529 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -128.92 107.31 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 41.5 p -143.79 136.6 27.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -172.19 122.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 27.2 p -49.3 124.52 9.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 57.7 p -153.4 167.82 28.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -117.12 86.73 0.42 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -43.12 2.8 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.295 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 13.4 t -87.5 122.67 31.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.3 t -60.27 -53.18 60.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -146.09 145.85 30.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.831 0.348 . . . . 0.0 110.858 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -164.18 173.05 12.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.46 145.46 4.14 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 p -169.57 142.48 2.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.2 m -101.07 105.46 16.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.69 111.27 1.0 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -85.15 49.88 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -122.74 137.65 54.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.9 tt -70.16 152.01 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.4 m -149.12 131.05 15.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tp -78.93 94.68 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -143.92 158.05 43.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.1 mt -77.07 122.02 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.417 ' CE ' HG21 ' A' ' 68' ' ' VAL . 1.1 ptt? -106.63 137.33 44.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.428 ' OG1' ' NE2' ' A' ' 39' ' ' GLN . 32.0 m -96.68 114.67 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.553 HD21 ' HB ' ' A' ' 68' ' ' VAL . 6.0 mp -110.65 129.34 55.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HG2' HG22 ' A' ' 37' ' ' VAL . 29.2 mt-30 -103.43 97.61 10.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.707 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 54.0 Cg_endo -69.75 80.52 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.624 2.216 . . . . 0.0 112.373 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' CB ' ' HA ' ' A' ' 35' ' ' THR . 39.1 ptt180 -102.35 147.18 27.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 t -143.63 141.41 30.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.64 147.94 51.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 73.29 38.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 24' ' ' VAL . 27.3 m -111.24 95.82 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -52.1 130.43 30.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.756 HG21 ' CG2' ' A' ' 85' ' ' VAL . 3.2 p -74.14 -178.88 3.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.26 -57.83 7.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -62.01 -30.77 71.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.95 55.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.489 ' O ' HD23 ' A' ' 32' ' ' LEU . 4.7 t -136.47 111.48 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.8 113.87 4.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 30' ' ' VAL . 4.1 mm? -116.57 165.18 13.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 m -122.6 108.93 13.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.619 HG22 HG12 ' A' ' 122' ' ' VAL . 84.8 t -112.96 121.79 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.413 ' HA ' ' CB ' ' A' ' 20' ' ' ARG . 4.5 m -72.39 -61.94 1.62 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.69 144.43 0.4 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.712 HG23 ' HB2' ' A' ' 120' ' ' LYS . 41.6 t -144.4 114.78 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 0.0 111.067 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -136.97 141.96 42.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.083 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.428 ' NE2' ' OG1' ' A' ' 16' ' ' THR . 5.9 tp60 -94.07 148.05 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.686 HG11 HG11 ' A' ' 68' ' ' VAL . 2.3 p -145.11 160.07 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.174 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.531 ' HG2' HD21 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -158.54 158.3 33.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.975 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.791 HD13 HD12 ' A' ' 112' ' ' ILE . 28.7 mm -84.12 149.13 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.472 ' SD ' ' N ' ' A' ' 113' ' ' GLU . 2.1 mpp? -90.11 -176.35 4.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.82 -173.16 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -110.5 32.02 5.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HE3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -46.66 -35.99 6.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.412 ' C ' ' HG ' ' A' ' 48' ' ' LEU . 4.0 tp10 -118.91 -66.3 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.412 ' HG ' ' C ' ' A' ' 47' ' ' GLU . 14.6 mt -151.4 133.67 15.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.772 HD13 ' O ' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -125.25 5.47 7.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.11 -3.82 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.067 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.1 p -84.38 -38.09 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.41 -5.76 23.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.38 -34.54 72.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -90.55 -27.07 19.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -66.94 -26.48 66.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.574 ' HZ ' HD11 ' A' ' 112' ' ' ILE . 9.8 m-30 -101.09 -59.39 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.9 mt -45.87 152.29 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.36 -32.58 3.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -105.11 179.11 4.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -94.51 167.47 11.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.4 m -54.56 -30.54 22.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -63.28 -41.7 99.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.87 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -54.7 -48.93 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.478 ' H ' HD12 ' A' ' 64' ' ' ILE . 2.9 mp -52.28 -70.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -39.73 -48.19 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -60.54 -37.5 81.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 63' ' ' ASP . 65.0 t -64.64 -57.68 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.686 HG11 HG11 ' A' ' 40' ' ' VAL . 74.4 t -59.08 -35.37 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.7 tp -71.11 -38.41 72.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.981 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -57.58 -37.88 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 m -64.04 -53.97 41.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 99.1 mt -67.75 -58.41 4.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -45.55 -44.85 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.6 -60.36 9.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -47.71 -43.13 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.808 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.94 HD12 HG21 ' A' ' 99' ' ' VAL . 10.0 tp -45.55 -56.24 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -56.6 -43.93 80.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -55.59 -48.63 74.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.8 mm -70.28 -58.68 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.493 HD13 HG21 ' A' ' 24' ' ' VAL . 2.1 tt -39.86 -37.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.76 -58.71 9.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -76.31 1.14 16.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 0.0 111.174 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.691 HD12 ' CG1' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -101.43 118.41 36.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' VAL . 45.1 p -72.78 136.17 45.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.756 ' CG2' HG21 ' A' ' 26' ' ' THR . 18.3 t -37.73 -61.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -39.11 -63.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.403 ' HB2' ' CD1' ' A' ' 83' ' ' LEU . 78.9 mt-30 -46.53 -51.36 15.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.691 ' CG1' HD12 ' A' ' 83' ' ' LEU . 17.5 mt -48.63 -54.0 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -62.22 -54.29 43.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -39.56 -65.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.41 109.98 13.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -81.27 -46.67 14.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -48.66 -54.92 12.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -51.11 -49.53 60.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -45.78 -64.34 0.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -49.11 -54.45 16.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' ALA . 16.6 ttmm -35.48 -40.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.49 ' O ' HG12 ' A' ' 102' ' ' VAL . 7.7 mt -71.41 -47.34 56.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.94 HG21 HD12 ' A' ' 76' ' ' LEU . 46.4 t -58.34 -33.49 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.482 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 26.7 ptt180 -85.07 -29.39 24.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -71.87 -35.07 69.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 98' ' ' LEU . 7.1 p -81.65 -31.04 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -85.45 -35.64 21.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.766 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -36.26 -60.33 0.72 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 111.097 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.766 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.9 Cg_endo -69.75 -18.44 37.05 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' ALA . 5.6 t70 -77.41 -56.2 4.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.528 HG21 HG23 ' A' ' 114' ' ' ILE . 8.8 m -50.17 -42.14 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -46.92 -30.62 5.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.433 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -56.77 -56.44 21.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.482 ' CE ' HG12 ' A' ' 107' ' ' VAL . 10.0 ptt? -68.46 -33.38 74.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 120.77 28.1 1.79 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.791 HD12 HD13 ' A' ' 42' ' ' ILE . 29.7 mm -118.39 142.76 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.726 0.298 . . . . 0.0 111.17 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.472 ' N ' ' SD ' ' A' ' 43' ' ' MET . 14.5 tt0 -118.61 127.98 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.72 ' O ' HD12 ' A' ' 114' ' ' ILE . 2.4 pp -77.57 130.96 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.531 HD21 ' HG2' ' A' ' 41' ' ' LYS . 67.5 mt -86.77 -57.23 3.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.9 m -153.33 149.25 27.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.491 ' CZ ' ' HG3' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -130.97 119.97 22.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.822 -179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.642 HG22 ' H ' ' A' ' 119' ' ' ILE . 0.4 OUTLIER -133.23 175.96 8.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.642 ' H ' HG22 ' A' ' 118' ' ' THR . 15.2 mm -111.6 134.44 53.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.712 ' HB2' HG23 ' A' ' 37' ' ' VAL . 3.3 tppp? -88.09 -73.44 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -159.03 136.36 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.619 HG12 HG22 ' A' ' 34' ' ' VAL . 26.0 m -114.91 125.98 72.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -137.1 166.83 22.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 20.3 p-10 -104.74 111.72 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.79 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -68.75 -22.85 64.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.9 m -93.47 6.58 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 47.36 52.39 12.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -74.6 -60.61 2.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.731 ' HA ' HD12 ' A' ' 132' ' ' LEU . 3.6 pp -70.8 -43.93 67.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.731 ' N ' HD12 ' A' ' 129' ' ' LEU . 9.5 t -51.69 -43.94 62.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.5 t -58.36 -43.85 88.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 129' ' ' LEU . 18.1 mt -53.98 -33.48 57.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 55.32 80.09 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.517 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -105.76 132.92 51.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.3 m -146.92 145.59 29.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -59.45 -23.73 62.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.05 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.6 m 50.62 54.82 10.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 88.1 p -165.28 111.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 167.51 86.03 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 173.34 11.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 57.8 p -133.58 173.88 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 40.6 t -125.29 -51.81 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 p -173.53 133.38 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 m -79.07 174.24 11.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.04 39.33 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -126.67 139.38 53.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.899 0.38 . . . . 0.0 110.889 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -66.38 109.04 2.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.71 152.75 7.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.57 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.88 15.06 22.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.959 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -94.4 136.2 34.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 tt -67.06 158.97 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.4 p -138.32 140.23 39.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tp -68.78 112.14 5.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -170.99 148.01 2.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.959 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.56 144.8 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.522 ' HG3' HG13 ' A' ' 40' ' ' VAL . 3.9 ptt? -131.18 134.16 46.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.9 m -86.79 105.18 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.111 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -98.89 121.02 40.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.512 ' HG2' HG22 ' A' ' 37' ' ' VAL . 70.2 mt-30 -104.0 97.44 11.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.702 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 54.3 Cg_endo -69.71 80.24 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.392 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -98.62 150.29 21.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.1 p -139.66 145.86 38.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 9.0 mm-40 -130.46 156.96 43.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.6 p-10 46.85 54.06 9.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 24' ' ' VAL . 32.6 m -116.72 84.89 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -42.18 135.49 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.631 HG21 HG23 ' A' ' 85' ' ' VAL . 1.4 p -74.27 -175.83 2.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.095 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.76 ' HB2' ' O ' ' A' ' 81' ' ' GLY . . . -58.15 -36.83 73.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.402 ' HG3' HG23 ' A' ' 30' ' ' VAL . 19.8 pt-20 -80.64 -47.66 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.7 49.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.422 ' O ' HD23 ' A' ' 32' ' ' LEU . 31.7 t -137.07 113.17 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.581 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -65.99 129.64 40.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.581 HD22 ' O ' ' A' ' 31' ' ' ALA . 4.0 mm? -126.5 163.42 23.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.7 m -119.48 102.57 8.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.941 HG22 HG12 ' A' ' 122' ' ' VAL . 71.9 t -108.14 111.22 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 m -64.61 -61.37 2.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.25 148.97 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.475 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.69 HG23 ' HB2' ' A' ' 120' ' ' LYS . 14.0 t -145.93 124.17 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 111.112 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.6 135.68 28.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.033 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -95.83 126.63 41.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.522 HG13 ' HG3' ' A' ' 15' ' ' MET . 8.1 p -127.06 162.68 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.513 ' N ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -155.31 155.1 33.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.4 mm -67.37 135.31 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.2 mtm -77.11 -177.81 4.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -118.47 -30.06 5.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.124 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 47' ' ' GLU . 6.9 mm-40 47.79 53.99 10.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 45' ' ' GLU . 42.9 mttt -33.74 -34.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 45' ' ' GLU . 20.6 tt0 -68.44 -52.28 34.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' GLU . 3.6 tp -170.44 107.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.871 HD13 ' O ' ' A' ' 49' ' ' LEU . 2.3 tm? -85.95 -17.36 35.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.42 -29.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 52' ' ' ALA . 2.7 p -51.2 -52.03 20.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.511 ' N ' HG13 ' A' ' 51' ' ' VAL . . . -75.84 -43.62 44.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.425 ' SG ' HD12 ' A' ' 49' ' ' LEU . 62.9 m -49.0 -54.31 16.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.6 20.02 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -124.96 -24.08 4.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.527 ' HB3' HD11 ' A' ' 64' ' ' ILE . 23.3 m-85 -112.07 -28.85 7.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.5 mt -50.61 -36.46 35.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.59 -21.91 73.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.473 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -117.46 165.24 13.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -80.62 177.81 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.86 -35.74 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -58.82 -50.61 73.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 67' ' ' VAL . 11.2 m-20 -45.46 -60.06 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.527 HD11 ' HB3' ' A' ' 56' ' ' PHE . 2.5 mp -36.76 -66.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 64' ' ' ILE . 12.8 mptt -36.21 -53.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -63.36 -42.88 98.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 63' ' ' ASP . 60.4 t -58.69 -59.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 112' ' ' ILE . 89.2 t -53.72 -30.86 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 47.6 tp -72.34 -43.31 64.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -53.11 -36.21 60.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.682 HG21 ' CG1' ' A' ' 107' ' ' VAL . 99.3 m -62.68 -59.84 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 103' ' ' ALA . 23.1 mt -66.85 -57.24 7.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -45.44 -50.43 12.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.51 -66.08 3.09 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -44.43 -47.09 9.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.798 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.004 HD12 HG21 ' A' ' 99' ' ' VAL . 12.4 tp -39.44 -55.79 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 77' ' ' ARG . 8.1 mtp-105 -48.82 -68.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 t -40.78 -42.78 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.6 mm -70.29 -36.8 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 80' ' ' LEU . 6.7 tt -69.74 -35.82 75.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.76 ' O ' ' HB2' ' A' ' 27' ' ' ALA . . . -60.35 -53.62 44.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.438 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 t -60.5 -20.34 59.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.342 . . . . 0.0 111.154 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.408 HD12 ' CD1' ' A' ' 95' ' ' PHE . 21.1 mt -99.92 145.81 27.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' VAL . 69.8 p -94.99 150.14 20.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.687 ' HA ' HD12 ' A' ' 88' ' ' ILE . 24.8 t -34.73 -65.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' GLN . 26.8 mt-10 -41.35 -69.01 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' GLU . 63.2 mt-30 -37.47 -53.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 85' ' ' VAL . 27.4 mt -47.95 -49.14 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.061 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 90' ' ' GLN . 38.6 m-85 -68.57 -50.64 50.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 89' ' ' TYR . 3.7 mm-40 -34.8 -64.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -130.7 117.9 20.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.574 ' HD2' HG21 ' A' ' 119' ' ' ILE . 10.0 mmt85 -79.92 -62.72 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.8 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -34.9 -56.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -49.34 -61.18 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CD1' HD12 ' A' ' 83' ' ' LEU . 10.8 t80 -40.92 -58.88 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.959 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.578 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -56.78 -50.48 72.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.049 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.405 ' O ' ' OE2' ' A' ' 101' ' ' GLU . 22.4 ttmt -40.92 -39.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.99 -41.24 74.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.004 HG21 HD12 ' A' ' 76' ' ' LEU . 42.3 t -62.72 -42.59 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 12.9 ptm180 -75.64 -36.27 60.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 97' ' ' LYS . 0.1 OUTLIER -63.98 -31.13 72.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 99' ' ' VAL . 12.2 p -87.84 -25.85 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.906 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -90.22 -21.8 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.759 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -55.45 -59.27 11.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.569 0.699 . . . . 0.0 111.083 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.759 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.6 Cg_endo -69.77 -15.0 36.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.588 2.192 . . . . 0.0 112.378 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.76 -63.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 103' ' ' ALA . 4.4 m -45.5 -35.24 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.87 -33.97 14.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.463 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.9 mmm-85 -55.82 -54.76 40.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.737 0.303 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.692 ' CE ' HG12 ' A' ' 107' ' ' VAL . 1.3 ptt? -66.52 -36.04 81.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 120.96 26.73 2.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.523 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.556 HG13 HG22 ' A' ' 68' ' ' VAL . 38.2 mm -115.76 140.1 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.798 0.333 . . . . 0.0 111.153 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -118.58 131.16 56.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.56 ' O ' HD12 ' A' ' 114' ' ' ILE . 2.5 pp -82.68 137.59 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.0 mt -95.87 -51.29 4.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.1 t -154.7 153.07 30.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.578 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -137.23 117.45 13.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.837 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.674 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.8 m -132.17 173.93 10.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.674 ' H ' HG22 ' A' ' 118' ' ' THR . 49.5 mm -109.61 122.16 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.115 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.69 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -73.8 -66.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -164.91 140.0 5.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.811 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.941 HG12 HG22 ' A' ' 34' ' ' VAL . 31.2 m -119.39 124.0 72.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -137.16 171.04 15.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.419 ' CG ' HG22 ' A' ' 126' ' ' VAL . 16.7 t0 -110.88 133.25 53.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.852 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -80.44 -17.8 50.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.419 HG22 ' CG ' ' A' ' 124' ' ' ASP . 14.0 m -94.2 1.62 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 44.45 54.28 6.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -84.4 -47.99 10.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.1 mt -69.57 -45.24 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.1 m -48.74 -47.36 41.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.6 m -49.29 -45.43 45.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 38.4 mt -54.86 -33.36 61.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 118.21 67.74 0.34 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -118.0 41.48 2.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 55.5 m -155.05 119.16 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 137' ' ' THR . 31.5 tt0 -56.36 -48.05 77.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 136' ' ' GLN . 39.2 m -37.2 125.46 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 51.2 p -160.17 137.7 9.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 124.17 -177.02 16.85 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 171.16 14.95 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.631 2.221 . . . . 0.0 112.406 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.5 t -47.24 -53.05 14.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 70.4 p -65.8 148.43 51.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.473 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -82.75 82.21 8.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -76.75 146.84 37.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.877 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.04 -115.08 2.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.0 p -133.02 128.54 36.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.36 . . . . 0.0 110.897 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -153.52 172.93 16.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.39 -148.75 24.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -118.11 41.3 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -132.84 -175.0 3.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.9 tt -74.18 148.46 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.3 m -96.71 122.8 40.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 13' ' ' GLU . 35.8 mt -98.35 -45.82 6.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' LEU . 4.5 pm0 -37.1 150.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.471 ' CG2' ' HG3' ' A' ' 39' ' ' GLN . 11.5 mt -64.05 129.18 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.436 ' O ' HG12 ' A' ' 40' ' ' VAL . 2.5 mpp? -101.63 126.44 48.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.9 m -85.68 104.96 15.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.067 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.404 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 52.6 mt -112.05 113.27 25.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -100.6 99.28 9.65 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.551 0.691 . . . . 0.0 110.951 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.8 Cg_endo -69.75 95.64 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.34 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.527 ' HE ' HG23 ' A' ' 35' ' ' THR . 10.0 ttm180 -107.41 138.48 43.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.507 ' SG ' HG11 ' A' ' 24' ' ' VAL . 1.3 t -129.22 144.93 51.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -129.78 142.02 50.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.92 53.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 24' ' ' VAL . 29.9 m -118.88 100.21 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -60.76 132.2 53.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.572 HG21 ' HB ' ' A' ' 85' ' ' VAL . 48.4 p -76.03 172.23 13.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.19 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.476 ' CA ' ' O ' ' A' ' 81' ' ' GLY . . . -34.52 -63.47 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.071 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HG3' HG23 ' A' ' 30' ' ' VAL . 7.3 pt-20 -56.16 -52.12 65.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 141.83 44.8 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.522 HG12 HD22 ' A' ' 32' ' ' LEU . 88.3 t -120.63 116.88 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 111.078 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.13 118.34 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD22 HG12 ' A' ' 30' ' ' VAL . 3.1 mm? -118.87 160.78 21.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.795 HG21 ' CZ ' ' A' ' 123' ' ' TYR . 21.4 m -119.76 101.73 8.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.811 HG22 HG12 ' A' ' 122' ' ' VAL . 58.3 t -108.31 122.74 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.527 HG23 ' HE ' ' A' ' 20' ' ' ARG . 89.6 m -72.87 -48.09 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.7 146.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 6.0 t -151.36 124.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.26 160.43 40.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.081 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.471 ' HG3' ' CG2' ' A' ' 14' ' ' ILE . 5.5 tp60 -114.46 147.63 39.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 15' ' ' MET . 8.9 p -146.67 159.31 10.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 40' ' ' VAL . 32.0 pttt -149.51 155.25 40.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.73 HD13 HD12 ' A' ' 112' ' ' ILE . 37.3 mm -79.82 117.28 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.6 mtt -46.08 172.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.807 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.95 162.58 15.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -95.18 110.54 22.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.83 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -116.52 -37.58 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -130.39 -55.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.7 mt -148.81 115.94 6.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -119.64 15.28 12.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.88 -4.41 6.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 p -83.21 -38.28 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -111.02 16.3 21.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.526 ' O ' HD12 ' A' ' 57' ' ' LEU . 12.0 m -94.26 -12.69 27.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.86 -16.17 7.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 56' ' ' PHE . 2.0 pt20 -66.73 -13.14 61.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CD1' HG13 ' A' ' 64' ' ' ILE . 22.5 m-85 -119.53 -44.05 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 53' ' ' CYS . 20.1 mt -37.44 139.82 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.08 -40.29 3.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -73.58 -175.93 2.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.743 0.306 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -109.23 145.44 35.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -44.13 -30.9 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -73.6 -39.59 64.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.23 -48.29 80.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.571 HG13 ' CD1' ' A' ' 56' ' ' PHE . 3.3 mp -49.02 -69.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' ILE . 2.9 mptt -34.79 -44.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -63.22 -45.27 92.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' ILE . 88.0 t -55.95 -55.8 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.1 -48.21 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 tp -56.82 -34.96 68.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -61.51 -50.13 73.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.3 m -48.14 -48.49 34.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.555 HD23 ' CB ' ' A' ' 103' ' ' ALA . 70.2 mt -71.68 -37.97 70.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 74' ' ' GLY . 16.3 mt-10 -63.84 -67.15 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -35.74 -50.33 1.07 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.445 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' LEU . 52.3 m-70 -63.05 -45.79 90.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.359 . . . . 0.0 110.827 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.603 HD12 HG21 ' A' ' 99' ' ' VAL . 6.5 tp -36.84 -65.19 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -50.42 -52.62 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 m -51.08 -35.97 37.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.1 mm -79.32 -38.75 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.512 ' CD2' HG22 ' A' ' 26' ' ' THR . 1.9 tt -66.46 -32.27 73.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.476 ' O ' ' CA ' ' A' ' 27' ' ' ALA . . . -66.68 -57.09 10.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.543 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 t -56.74 -30.9 64.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.792 0.33 . . . . 0.0 111.082 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.456 HD11 ' HG ' ' A' ' 98' ' ' LEU . 12.1 mt -92.74 138.35 31.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 76.0 p -73.54 153.32 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.947 ' HA ' HD12 ' A' ' 88' ' ' ILE . 1.0 OUTLIER -53.54 -48.64 58.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.59 -54.11 37.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -47.9 -45.34 30.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.947 HD12 ' HA ' ' A' ' 85' ' ' VAL . 19.1 mt -52.6 -53.55 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' GLN . 38.8 m-85 -61.9 -56.29 20.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' TYR . 6.6 mm-40 -35.48 -64.19 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -127.78 83.58 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -53.25 -43.85 67.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -51.04 -41.24 59.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.495 ' O ' HD23 ' A' ' 98' ' ' LEU . 49.4 tp60 -55.02 -69.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -40.26 -48.26 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.579 ' HB1' ' HD1' ' A' ' 117' ' ' PHE . . . -53.79 -40.82 66.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -69.82 -43.41 72.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 94' ' ' GLN . 3.5 mm? -47.21 -37.51 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.643 ' O ' HG12 ' A' ' 102' ' ' VAL . 2.1 t -76.32 -65.13 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 13.1 ptt180 -48.3 -23.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -74.91 -37.22 62.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 99' ' ' VAL . 10.2 p -85.4 -26.23 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.12 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.555 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -84.56 -46.39 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.793 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.68 -60.62 0.43 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.496 0.665 . . . . 0.0 111.066 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.0 Cg_endo -69.78 -22.22 32.29 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.73 2.287 . . . . 0.0 112.372 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 103' ' ' ALA . 5.5 t0 -74.41 -59.56 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.627 HG21 HG23 ' A' ' 114' ' ' ILE . 24.0 m -54.55 -21.49 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.212 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.53 -40.94 99.27 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.593 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.7 mtt-85 -58.8 -39.94 82.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.3 mtm -72.69 -43.75 62.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.11 24.36 1.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.73 HD12 HD13 ' A' ' 42' ' ' ILE . 46.7 mm -121.87 141.3 42.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.725 0.298 . . . . 0.0 111.116 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -114.75 136.87 52.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.627 HG23 HG21 ' A' ' 107' ' ' VAL . 1.9 pp -91.69 143.5 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 115' ' ' LEU . 2.9 mm? -89.81 -51.83 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.9 t -166.29 173.96 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.579 ' HD1' ' HB1' ' A' ' 96' ' ' ALA . 3.7 t80 -144.95 134.42 23.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.649 HG22 ' H ' ' A' ' 119' ' ' ILE . 3.7 m -150.25 171.33 17.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.649 ' H ' HG22 ' A' ' 118' ' ' THR . 14.9 mm -103.47 140.85 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 27.3 tttm -97.02 -53.39 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -166.2 135.74 3.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.811 HG12 HG22 ' A' ' 34' ' ' VAL . 34.0 m -128.21 125.07 63.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.795 ' CZ ' HG21 ' A' ' 33' ' ' THR . 34.1 p90 -137.35 174.47 10.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.746 ' OD1' HG22 ' A' ' 126' ' ' VAL . 17.6 t0 -114.07 134.79 54.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.783 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -81.08 -26.92 35.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.746 HG22 ' OD1' ' A' ' 124' ' ' ASP . 22.5 m -82.17 -22.48 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.6 t70 68.04 54.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -84.32 -54.42 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.67 -45.62 77.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.5 t -56.71 -49.43 75.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 30.6 t -46.54 -44.58 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.93 -30.71 71.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -106.79 57.02 0.47 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -105.41 103.67 13.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.859 0.362 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 18.1 p -120.3 131.64 54.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -95.82 -25.48 16.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.979 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 11.0 p -104.72 109.87 21.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 77.7 p -61.81 -51.61 67.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 148.34 -169.05 29.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 1.27 4.62 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 33.2 p -58.5 124.19 18.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 43.4 t -57.77 -55.87 29.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -128.6 -57.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.899 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -107.9 115.38 30.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.96 43.46 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.4 p -60.77 125.0 22.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.943 0.401 . . . . 0.0 110.863 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -169.11 152.08 4.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.812 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.25 120.99 0.41 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.503 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -118.69 40.95 3.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 9' ' ' ARG . 15.3 ttp-105 -166.54 157.48 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.1 tt -64.51 150.28 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.0 p -130.62 108.28 9.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.781 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.74 111.83 1.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -174.65 148.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 40' ' ' VAL . 56.0 mt -60.71 141.19 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.416 ' O ' HG12 ' A' ' 40' ' ' VAL . 56.6 mtm -123.06 139.7 53.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.479 HG23 ' OE1' ' A' ' 39' ' ' GLN . 21.9 m -99.92 105.35 17.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.53 HD13 ' CG1' ' A' ' 40' ' ' VAL . 10.8 mp -111.01 119.88 40.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -102.43 97.44 8.84 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.962 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 53.9 Cg_endo -69.75 107.02 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.8 ttp180 -117.54 157.23 26.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -143.89 134.48 24.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.807 ' HG2' HG23 ' A' ' 33' ' ' THR . 69.0 mt-10 -129.58 143.55 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t70 65.84 51.69 1.36 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 24' ' ' VAL . 18.0 m -120.93 100.66 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.89 132.4 53.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.531 HG21 ' CG2' ' A' ' 85' ' ' VAL . 2.2 p -71.7 -175.89 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 81' ' ' GLY . . . -59.58 -38.06 80.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -76.46 -42.19 44.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.66 54.71 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.523 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.426 HG12 ' CD2' ' A' ' 32' ' ' LEU . 47.8 t -142.88 119.5 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 111.129 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.601 ' HB3' ' CG1' ' A' ' 126' ' ' VAL . . . -70.33 125.01 25.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 31' ' ' ALA . 4.2 mm? -126.68 161.89 27.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.844 HG21 ' CE2' ' A' ' 123' ' ' TYR . 25.0 m -120.71 125.79 48.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.544 HG13 HG22 ' A' ' 122' ' ' VAL . 57.5 t -130.51 112.75 23.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 83.9 m -57.19 -58.63 7.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.73 133.66 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.8 t -138.97 120.34 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.843 0.354 . . . . 0.0 111.052 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.38 131.92 27.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.479 ' OE1' HG23 ' A' ' 16' ' ' THR . 8.6 tp60 -87.55 142.37 27.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.543 HG22 ' N ' ' A' ' 41' ' ' LYS . 7.8 p -138.49 165.42 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.543 ' N ' HG22 ' A' ' 40' ' ' VAL . 4.5 pttm -157.05 138.82 14.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.493 HD13 HD12 ' A' ' 112' ' ' ILE . 45.9 mm -63.49 129.98 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.3 mtm -76.27 170.39 16.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 m -109.18 -33.26 6.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 47' ' ' GLU . 27.6 mt-10 47.11 50.4 14.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 45' ' ' GLU . 56.4 tttt -31.11 -38.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 45' ' ' GLU . 1.3 tp10 -67.75 -62.47 1.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.9 mt -146.79 107.29 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.017 HD13 ' O ' ' A' ' 49' ' ' LEU . 3.1 tm? -100.78 -19.92 15.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.21 -28.62 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.446 HG11 ' OE1' ' A' ' 45' ' ' GLU . 7.5 p -49.96 -31.5 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.605 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -111.99 -35.05 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.3 t -41.16 -68.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -62.59 -42.77 99.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -48.89 -40.48 30.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.605 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 24.2 m-85 -86.45 -47.11 9.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.4 mt -38.96 -41.29 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.978 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.28 -41.87 72.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.422 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -107.47 171.49 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 110.948 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.721 ' O ' HD12 ' A' ' 64' ' ' ILE . 2.6 m-80 -86.32 158.6 19.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.866 ' HA ' HD13 ' A' ' 64' ' ' ILE . 9.5 m -43.82 -32.89 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -60.94 -61.38 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.481 ' O ' HG23 ' A' ' 67' ' ' VAL . 48.1 t0 -39.27 -55.81 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.866 HD13 ' HA ' ' A' ' 61' ' ' VAL . 5.3 mp -41.51 -67.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' ILE . 70.8 mttt -36.53 -41.7 0.31 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -76.49 -38.79 54.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 64' ' ' ILE . 78.9 t -60.85 -58.18 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.28 -38.86 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.18 -48.49 81.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -55.85 -32.87 64.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 86.7 m -60.79 -63.4 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.5 mt -62.3 -41.62 98.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -57.79 -62.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.66 -49.49 4.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.417 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -59.57 -44.1 93.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.949 HD12 HG21 ' A' ' 99' ' ' VAL . 8.3 tp -48.6 -54.11 15.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.543 ' HG2' HG11 ' A' ' 24' ' ' VAL . 36.3 mtm-85 -46.8 -59.76 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -53.67 -54.65 34.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.3 mm -53.17 -33.04 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 tt -75.08 -42.13 57.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.742 ' O ' ' HB2' ' A' ' 27' ' ' ALA . . . -55.19 -58.32 14.32 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.518 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.46 HG23 ' HG ' ' A' ' 83' ' ' LEU . 8.8 t -52.87 -26.64 15.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.172 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.46 ' HG ' HG23 ' A' ' 82' ' ' THR . 75.9 mt -97.39 143.61 27.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.607 HG22 ' HB3' ' A' ' 27' ' ' ALA . 72.1 p -90.75 154.17 19.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.755 ' HA ' HD12 ' A' ' 88' ' ' ILE . 50.8 t -41.06 -44.07 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -57.67 -57.47 12.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -52.19 -43.93 64.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 85' ' ' VAL . 74.0 mt -50.97 -62.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' GLN . 59.0 m-85 -61.0 -49.59 76.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' TYR . 13.7 mt-30 -35.97 -65.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.52 105.51 8.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.82 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.4 mtt85 -78.76 -49.89 12.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -46.15 -51.19 14.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 97' ' ' LYS . 20.4 tt0 -59.64 -55.98 27.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -40.5 -46.58 2.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.96 -36.17 77.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 94' ' ' GLN . 16.9 ttmm -61.23 -47.23 87.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.7 mp -53.57 -24.16 12.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.949 HG21 HD12 ' A' ' 76' ' ' LEU . 43.6 t -83.37 -63.35 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.227 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 3.6 ptp180 -52.11 -28.32 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 5.5 mm-40 -72.04 -50.59 27.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 99' ' ' VAL . 12.7 p -70.24 -26.01 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -85.51 -42.8 14.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.37 -60.56 0.41 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.575 0.702 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.7 Cg_endo -69.74 -23.72 30.58 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.743 2.295 . . . . 0.0 112.286 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 103' ' ' ALA . 22.4 t0 -72.81 -59.08 2.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.479 HG12 ' CE ' ' A' ' 110' ' ' MET . 6.9 m -46.59 -44.18 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -38.79 -31.01 0.11 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.551 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 21.9 mtp85 -57.21 -56.75 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.504 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 4.5 ptt? -70.16 -33.03 71.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 114.97 35.78 1.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.421 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.493 HD12 HD13 ' A' ' 42' ' ' ILE . 31.4 mm -122.43 139.74 48.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.817 0.342 . . . . 0.0 111.091 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -114.01 132.13 56.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.433 ' C ' HD12 ' A' ' 114' ' ' ILE . 2.1 pp -81.15 141.35 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.8 mt -99.75 -45.13 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.8 m -168.48 150.62 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -133.37 103.53 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 119' ' ' ILE . 3.2 m -121.73 166.49 14.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.502 ' H ' HG22 ' A' ' 118' ' ' THR . 31.7 mm -97.0 149.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.68 -73.87 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -139.15 155.35 47.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.544 HG22 HG13 ' A' ' 34' ' ' VAL . 93.8 t -146.11 125.83 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.844 ' CE2' HG21 ' A' ' 33' ' ' THR . 3.9 p90 -133.89 173.84 11.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.82 120.99 43.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -82.05 -31.63 30.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.601 ' CG1' ' HB3' ' A' ' 31' ' ' ALA . 35.7 m -86.69 -32.01 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.159 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 67.67 48.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -79.73 -59.28 2.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 130' ' ' SER . 3.3 pp -67.81 -42.52 81.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.666 ' N ' HD12 ' A' ' 129' ' ' LEU . 12.6 t -61.21 -34.14 74.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.2 m -52.88 -46.93 68.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 23.9 mt -53.08 -32.61 48.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.989 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 78.84 54.47 4.17 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.538 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.02 132.41 11.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.5 96.75 3.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -93.19 -25.37 17.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 138' ' ' SER . 91.8 m -106.39 -55.04 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.206 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 137' ' ' THR . 1.0 OUTLIER -37.42 -48.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.43 -176.82 19.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 -10.6 28.92 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.739 2.292 . . . . 0.0 112.284 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.6 t -88.43 156.83 18.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.801 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.9 t -137.36 126.31 24.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.907 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.437 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.9 p -134.85 140.08 45.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.907 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -91.61 120.13 32.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.94 135.04 1.92 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.411 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -107.32 115.36 30.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.5 p -102.52 125.97 49.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.803 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.86 -164.56 31.44 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -97.95 42.58 1.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.761 0.315 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -133.06 124.31 27.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.3 tt -62.2 150.62 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.2 t -130.68 133.5 46.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.8 tp -82.2 109.77 16.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -162.77 155.06 18.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.6 mt -76.67 123.85 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -104.32 133.9 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 m -91.8 104.1 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.708 HD22 HG11 ' A' ' 40' ' ' VAL . 7.7 mp -107.08 123.83 48.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.478 ' OE1' ' N ' ' A' ' 18' ' ' GLN . 15.6 mp0 -101.98 97.51 8.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 110.981 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 85.07 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -101.53 140.7 35.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.581 ' SG ' HD23 ' A' ' 76' ' ' LEU . 73.3 m -134.26 111.05 9.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.498 ' OE2' ' N ' ' A' ' 23' ' ' ASP . 2.6 tp10 -103.44 149.73 24.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.498 ' N ' ' OE2' ' A' ' 22' ' ' GLU . 69.7 m-20 64.77 54.72 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.639 HG21 HD13 ' A' ' 80' ' ' LEU . 16.3 m -122.53 92.01 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HA ' ' N ' ' A' ' 31' ' ' ALA . 30.7 mt-10 -50.34 127.39 17.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.659 HG21 ' HB ' ' A' ' 85' ' ' VAL . 60.5 p -71.61 -175.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.74 -50.14 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 12.0 pt-20 -69.55 -38.16 77.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.472 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 122.26 51.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.591 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' ALA . 53.3 t -132.08 90.95 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 111.204 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' VAL . . . -34.26 120.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.591 HD21 HG23 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -117.12 139.66 50.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.453 ' H ' HD13 ' A' ' 32' ' ' LEU . 1.7 m -101.31 113.99 27.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.701 HG13 HG22 ' A' ' 122' ' ' VAL . 65.9 t -123.9 117.74 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.9 m -70.03 -59.69 2.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.19 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.68 139.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.453 HG23 ' HB2' ' A' ' 120' ' ' LYS . 15.8 t -143.25 119.58 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 111.099 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -139.76 156.2 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -107.58 134.43 50.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.708 HG11 HD22 ' A' ' 17' ' ' LEU . 7.4 p -133.68 149.8 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' CE ' ' OE2' ' A' ' 113' ' ' GLU . 9.1 pttt -144.13 149.1 35.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.698 HD13 ' CD1' ' A' ' 112' ' ' ILE . 4.5 mm -70.76 125.13 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.1 mtt -49.7 176.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.97 166.1 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -110.08 113.72 26.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -98.9 -44.79 6.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -127.27 -73.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.977 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.14 108.52 10.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.633 HD11 ' HB3' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -98.09 46.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.75 3.51 44.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p -85.82 -35.47 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.633 ' HB3' HD11 ' A' ' 49' ' ' LEU . . . -105.23 -11.05 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 57' ' ' LEU . 1.7 m -78.33 -68.65 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.54 -24.59 32.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -75.8 -25.24 56.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.469 ' CD2' ' O ' ' A' ' 52' ' ' ALA . 10.5 m-30 -111.7 -61.41 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 56' ' ' PHE . 31.6 mt -34.23 140.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.51 -22.77 39.27 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -110.97 -175.56 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.855 0.36 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -91.42 176.35 6.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.8 m -70.66 -34.65 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -53.69 -40.37 65.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.8 -61.07 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.508 ' H ' HD12 ' A' ' 64' ' ' ILE . 3.0 mp -39.96 -61.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -46.76 -44.71 19.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -63.12 -61.58 2.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.8 t -40.76 -50.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.621 HG22 HG13 ' A' ' 112' ' ' ILE . 60.6 t -65.9 -56.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.3 tp -45.98 -34.75 4.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 71' ' ' THR . 85.6 mt-30 -58.24 -64.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 70' ' ' GLN . 11.9 m -37.41 -61.37 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.502 HD23 ' CB ' ' A' ' 103' ' ' ALA . 70.5 mt -59.65 -44.79 93.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 76' ' ' LEU . 11.8 mt-10 -58.25 -69.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' GLU . . . -37.05 -50.45 1.55 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.573 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.415 ' CG ' HG13 ' A' ' 102' ' ' VAL . 70.2 m-70 -60.44 -37.8 82.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.687 HD12 HG21 ' A' ' 99' ' ' VAL . 5.0 tp -57.31 -50.59 72.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -59.1 -43.91 91.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 t -66.46 -39.04 88.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' A' ' 98' ' ' LEU . 24.0 mm -73.55 -29.26 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.639 HD13 HG21 ' A' ' 24' ' ' VAL . 6.5 tt -76.49 -58.93 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -43.95 -52.66 6.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.544 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.3 t -60.53 -31.77 70.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 111.088 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.57 159.44 24.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.6 p -97.1 133.16 42.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.659 ' HB ' HG21 ' A' ' 26' ' ' THR . 1.7 p -40.54 -49.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -52.07 -59.26 4.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -44.02 -54.93 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 71.7 mt -41.04 -63.14 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -51.98 -44.46 64.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -56.24 -68.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.27 110.87 18.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' ASP . 31.2 mtt180 -83.24 -57.0 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 92' ' ' ARG . 4.1 m-20 -37.09 -52.77 1.0 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.411 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 17.5 tp60 -51.21 -56.09 14.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.564 ' O ' HG23 ' A' ' 99' ' ' VAL . 21.3 t80 -54.93 -43.68 73.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.784 ' HB2' HG12 ' A' ' 119' ' ' ILE . . . -68.39 -19.26 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -84.14 -50.17 8.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.522 ' HB3' HD12 ' A' ' 79' ' ' ILE . 8.4 mp -52.1 -18.78 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.687 HG21 HD12 ' A' ' 76' ' ' LEU . 18.8 t -92.63 -49.68 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 17.8 ptt180 -67.13 -19.69 65.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 18.4 pt-20 -84.56 -39.2 19.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' A' ' 103' ' ' ALA . 2.0 p -76.51 -39.62 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.502 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -73.84 -33.55 64.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.806 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -44.97 -60.87 2.66 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.549 0.69 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.2 Cg_endo -69.73 -1.77 9.01 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.376 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -95.53 -57.95 2.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.585 HG12 ' CE ' ' A' ' 110' ' ' MET . 14.2 m -52.93 -25.41 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.55 -6.23 10.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -84.58 -42.06 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.585 ' CE ' HG12 ' A' ' 107' ' ' VAL . 8.1 ptt? -80.39 -32.68 37.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 123.7 12.04 4.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.698 ' CD1' HD13 ' A' ' 42' ' ' ILE . 26.8 mm -103.64 148.25 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 111.194 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.415 ' OE2' ' CE ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -126.46 141.85 51.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.48 ' C ' HD12 ' A' ' 114' ' ' ILE . 1.9 pp -93.13 142.41 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 58.0 mt -97.25 -51.36 4.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.3 t -159.45 164.58 34.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.447 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -139.49 125.78 20.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.4 160.14 38.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.784 HG12 ' HB2' ' A' ' 96' ' ' ALA . 9.5 mm -103.28 105.59 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.453 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -64.93 -74.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.822 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -137.34 150.76 47.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.81 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.701 HG22 HG13 ' A' ' 34' ' ' VAL . 38.8 t -144.78 105.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -129.66 163.43 26.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 -114.64 113.26 24.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -55.58 -26.15 42.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.428 ' O ' ' CG ' ' A' ' 127' ' ' ASP . 30.1 m -83.78 -14.45 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 126' ' ' VAL . 4.9 p-10 47.07 51.53 12.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 128' ' ' TYR . 0.3 OUTLIER -53.93 -34.13 58.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.786 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.4 mp -74.81 -27.57 60.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.1 t -87.23 16.26 5.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.7 t -129.76 12.78 5.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 63.7 mt -79.71 -31.2 41.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 144.59 109.59 0.66 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.512 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -83.7 145.28 28.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 40.0 p -145.75 105.47 3.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -168.44 146.55 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 74.7 p -131.07 149.44 52.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.0 m -79.68 -51.63 8.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 117.43 -101.22 0.92 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 114.91 3.85 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.371 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 87.9 p -136.31 112.17 9.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.785 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 96.6 p -121.11 156.68 31.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.475 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.1 p -91.45 115.11 27.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m 39.13 48.84 1.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.93 87.7 0.38 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -120.06 130.94 54.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.799 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -120.88 124.4 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.809 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 8' ' ' GLN . . . 158.11 -67.33 0.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.432 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 7' ' ' GLY . 13.5 pt20 34.43 41.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -134.76 116.43 14.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 11' ' ' SER . 2.7 tp -53.68 142.69 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.422 ' N ' HG13 ' A' ' 10' ' ' ILE . 83.4 p -96.58 142.12 29.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 13' ' ' GLU . 9.9 mt -112.28 -50.28 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' LEU . 11.5 pt-20 -37.56 147.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.486 ' CG2' ' HG2' ' A' ' 39' ' ' GLN . 46.0 mt -64.49 132.54 30.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -106.4 134.36 49.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -92.06 106.09 18.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 69' ' ' LEU . 10.3 mp -110.19 120.55 42.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.487 ' OE1' ' N ' ' A' ' 18' ' ' GLN . 0.7 OUTLIER -104.21 97.51 11.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.56 0.695 . . . . 0.0 110.921 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.9 Cg_endo -69.67 89.79 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.743 2.296 . . . . 0.0 112.35 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -101.18 140.95 34.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.0 m -140.94 135.0 30.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -128.94 155.18 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.5 t70 67.9 50.98 0.8 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.754 HG21 HD13 ' A' ' 80' ' ' LEU . 26.8 m -122.71 93.55 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -52.11 127.54 21.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.435 HG21 HG23 ' A' ' 85' ' ' VAL . 10.6 p -69.4 -177.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.424 ' CA ' ' O ' ' A' ' 81' ' ' GLY . . . -48.2 -56.54 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.49 ' HG3' HG23 ' A' ' 30' ' ' VAL . 6.4 pt-20 -64.57 -48.42 75.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 142.38 54.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.49 HG23 ' HG3' ' A' ' 28' ' ' GLU . 21.4 t -134.76 110.54 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.414 ' HA ' ' C ' ' A' ' 24' ' ' VAL . . . -68.05 116.71 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.073 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.556 ' CD2' HG22 ' A' ' 85' ' ' VAL . 3.3 mm? -112.42 165.48 12.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 m -126.1 107.24 10.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.2 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.922 HG22 HG12 ' A' ' 122' ' ' VAL . 53.5 t -109.31 111.33 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.9 m -59.28 -48.82 80.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.48 142.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.525 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.406 HG22 ' CG ' ' A' ' 18' ' ' GLN . 20.6 t -149.67 107.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.093 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 116' ' ' SER . . . -126.98 151.33 48.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.486 ' HG2' ' CG2' ' A' ' 14' ' ' ILE . 7.5 tt0 -106.91 128.39 54.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.432 HG22 ' N ' ' A' ' 41' ' ' LYS . 9.9 p -123.93 159.73 28.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.047 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.566 ' HG2' HD21 ' A' ' 115' ' ' LEU . 25.8 pttt -149.95 146.42 27.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.449 HD13 HD12 ' A' ' 112' ' ' ILE . 27.7 mm -67.68 124.19 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.1 mtm -64.55 176.09 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.9 160.41 14.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.599 ' HA ' HD23 ' A' ' 49' ' ' LEU . 1.6 pm0 -91.08 36.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -50.35 -39.2 45.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 49' ' ' LEU . 7.3 mm-40 -125.48 179.71 5.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -39.65 92.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.758 HD13 ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -79.87 -11.87 59.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -40.25 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 52' ' ' ALA . 4.2 p -54.59 -49.08 69.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.775 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -100.88 -31.23 11.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.136 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -38.72 -61.97 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -71.65 -38.5 70.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -52.77 -34.59 53.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.775 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 24.2 m-85 -98.73 -54.42 3.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' PHE . 18.0 mt -35.29 152.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 82.88 -30.46 3.21 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.453 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -93.32 179.31 5.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.322 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -103.27 164.67 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.504 HG23 ' N ' ' A' ' 62' ' ' GLN . 24.8 m -50.89 -47.16 30.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.504 ' N ' HG23 ' A' ' 61' ' ' VAL . 27.6 mp0 -46.13 -54.64 8.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -42.84 -63.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.2 mp -42.58 -61.98 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -42.77 -45.12 4.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -66.6 -47.85 71.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.8 t -52.76 -58.42 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.1 -57.42 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 17' ' ' LEU . 8.9 tp -45.26 -46.52 12.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -57.75 -44.44 86.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.421 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 23.1 m -48.57 -62.37 1.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.099 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.47 HD23 ' HB1' ' A' ' 103' ' ' ALA . 69.0 mt -59.42 -48.56 81.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -47.85 -60.27 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -41.69 -57.74 3.26 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.421 ' CD2' ' O ' ' A' ' 71' ' ' THR . 96.9 m-70 -51.24 -44.64 61.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.808 HD12 HG21 ' A' ' 99' ' ' VAL . 11.5 tp -44.39 -47.03 9.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.3 tmm_? -57.98 -69.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.782 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -38.24 -60.97 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.4 mm -52.09 -34.96 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.754 HD13 HG21 ' A' ' 24' ' ' VAL . 5.8 tt -69.41 -53.95 16.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.424 ' O ' ' CA ' ' A' ' 27' ' ' ALA . . . -45.88 -55.99 6.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 t -60.65 -21.7 63.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 0.0 111.133 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.822 HD23 ' CG1' ' A' ' 88' ' ' ILE . 7.4 tp -91.02 156.68 17.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.933 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 67.5 p -104.25 144.08 32.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.556 HG22 ' CD2' ' A' ' 32' ' ' LEU . 4.6 t -38.82 -46.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -55.11 -67.85 0.24 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -39.95 -54.34 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.822 ' CG1' HD23 ' A' ' 83' ' ' LEU . 78.2 mt -45.91 -54.39 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' GLN . 34.0 m-85 -64.8 -63.81 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' TYR . 25.7 mm100 -36.75 -59.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -122.2 112.78 18.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.8 mtm-85 -85.87 -43.15 13.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.28 -59.99 3.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.409 HE21 HD11 ' A' ' 98' ' ' LEU . 44.8 tp60 -42.59 -63.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.424 ' CD1' HD22 ' A' ' 83' ' ' LEU . 20.5 t80 -40.12 -60.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.788 ' HB2' HD13 ' A' ' 119' ' ' ILE . . . -52.81 -63.18 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' ALA . 15.5 ttmm -35.71 -51.15 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.409 HD11 HE21 ' A' ' 94' ' ' GLN . 6.3 mp -53.8 -41.27 67.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.808 HG21 HD12 ' A' ' 76' ' ' LEU . 42.3 t -63.66 -55.15 24.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.179 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.488 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 9.2 ptt180 -62.44 -24.81 67.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 53.0 mt-10 -73.86 -46.51 44.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 p -73.77 -24.45 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.187 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 106' ' ' ASP . . . -85.62 -44.24 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -34.27 -60.61 0.48 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.589 0.709 . . . . 0.0 111.07 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.782 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.2 Cg_endo -69.84 -21.58 32.91 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.618 2.212 . . . . 0.0 112.307 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 103' ' ' ALA . 11.9 t70 -74.89 -59.87 2.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.413 HG21 HG23 ' A' ' 114' ' ' ILE . 17.5 m -46.52 -36.2 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.16 -34.26 12.12 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -53.33 -57.16 11.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.723 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 10.8 ptt? -67.99 -33.59 74.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.03 33.84 1.45 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.449 HD12 HD13 ' A' ' 42' ' ' ILE . 50.7 mm -121.48 142.25 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 111.132 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -114.96 134.61 55.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.443 ' C ' HD12 ' A' ' 114' ' ' ILE . 1.9 pp -85.19 151.29 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.566 HD21 ' HG2' ' A' ' 41' ' ' LYS . 67.7 mt -106.29 -45.71 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.423 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 5.6 t -168.28 160.44 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.488 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 1.5 t80 -140.78 121.51 14.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.451 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.9 m -133.4 165.28 25.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.788 HD13 ' HB2' ' A' ' 96' ' ' ALA . 0.3 OUTLIER -106.18 114.84 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -67.81 -65.29 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -160.23 137.0 9.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.922 HG12 HG22 ' A' ' 34' ' ' VAL . 33.2 m -118.79 125.44 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -136.85 164.3 28.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.961 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 0.4 OUTLIER -100.81 112.32 24.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -65.27 -27.11 68.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.9 m -80.17 -16.83 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.08 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.47 53.3 9.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -90.45 -43.88 9.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 16.9 mt -55.8 -35.52 66.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.3 t -73.45 -44.73 57.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.3 t -47.2 -42.69 20.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 133' ' ' GLY . 76.3 mt -54.44 -33.47 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.554 ' O ' HG23 ' A' ' 135' ' ' THR . . . 34.42 78.34 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.514 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -45.17 110.8 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 133' ' ' GLY . 47.4 p -140.94 147.04 38.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -112.93 41.26 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 25.1 p -155.27 171.19 20.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 99.4 p -124.05 151.42 43.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -102.45 131.27 10.54 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 177.17 5.88 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.751 2.301 . . . . 0.0 112.323 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 30.9 p -153.0 172.94 16.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 80.9 p -126.56 171.3 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -158.54 162.18 37.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 4' ' ' GLY . 88.4 p -115.86 88.7 2.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.79 62.1 0.57 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.4 p -157.03 150.24 23.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -120.71 128.06 52.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.92 134.44 3.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.42 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -126.74 42.4 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.761 0.315 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -87.34 150.32 23.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.8 tt -57.44 144.63 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 t -111.63 142.05 44.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.422 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.4 pt? -116.93 -30.1 5.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.88 149.4 8.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.535 HG22 ' NE2' ' A' ' 39' ' ' GLN . 54.5 mt -60.28 120.31 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.548 ' CG ' HG13 ' A' ' 40' ' ' VAL . 13.1 ptt? -98.76 126.5 44.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.439 HG22 HE22 ' A' ' 18' ' ' GLN . 87.0 m -80.34 114.36 19.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.62 HD12 HG11 ' A' ' 40' ' ' VAL . 57.5 mt -124.63 110.91 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -103.55 96.74 9.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.595 0.712 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.6 Cg_endo -69.74 114.81 3.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.274 . . . . 0.0 112.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HG2' HG23 ' A' ' 35' ' ' THR . 20.1 mtm180 -104.98 158.55 16.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -144.39 107.92 4.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.655 ' HB3' HG23 ' A' ' 33' ' ' THR . 12.9 pt-20 -116.33 155.12 29.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.56 44.81 14.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 24' ' ' VAL . 27.5 m -116.11 106.46 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.11 117.18 5.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 30' ' ' VAL . 32.1 p -62.13 -175.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.191 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.98 -51.93 53.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -70.86 -36.2 72.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.454 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 126.6 51.05 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.441 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.748 HG12 ' CD2' ' A' ' 32' ' ' LEU . 92.3 t -126.1 113.38 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.805 0.336 . . . . 0.0 111.141 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.09 111.83 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.748 ' CD2' HG12 ' A' ' 30' ' ' VAL . 4.2 mm? -114.32 164.74 13.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.655 HG23 ' HB3' ' A' ' 22' ' ' GLU . 6.8 m -129.12 101.62 6.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.435 HG22 HG23 ' A' ' 122' ' ' VAL . 59.1 t -111.04 107.84 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.422 HG23 ' HG2' ' A' ' 20' ' ' ARG . 91.2 m -57.05 -48.55 78.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.194 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.5 139.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.514 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.65 HG23 ' HB2' ' A' ' 120' ' ' LYS . 18.0 t -137.8 142.52 35.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 111.143 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.62 166.65 30.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.535 ' NE2' HG22 ' A' ' 14' ' ' ILE . 5.2 mm100 -116.97 145.35 43.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.62 HG11 HD12 ' A' ' 17' ' ' LEU . 7.6 p -147.99 158.57 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' N ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -147.5 161.03 41.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.67 HD13 HD12 ' A' ' 112' ' ' ILE . 41.6 mm -91.19 93.95 4.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.572 ' HE2' ' C ' ' A' ' 112' ' ' ILE . 12.1 mtm -34.41 141.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.75 158.95 23.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.233 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' HA ' ' CG ' ' A' ' 49' ' ' LEU . 4.8 pt-20 -64.93 101.48 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -108.43 -27.03 10.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -173.08 108.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 53.95 49.52 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.601 HD13 ' O ' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -56.91 -19.96 20.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.85 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -34.11 -33.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.536 HG13 ' N ' ' A' ' 52' ' ' ALA . 6.7 p -45.08 -49.71 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.806 ' HB1' ' CE2' ' A' ' 56' ' ' PHE . . . -108.72 -22.16 12.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.27 -60.78 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.813 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -72.65 -34.14 67.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -58.26 -26.69 63.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.806 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 23.8 m-85 -104.36 -50.61 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' PHE . 28.6 mt -37.83 138.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.41 -48.69 3.39 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -60.86 178.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.327 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 63' ' ' ASP . 29.3 m-80 -107.96 142.9 37.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 60' ' ' ASN . 2.8 m -33.72 -48.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -54.72 -44.76 73.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.693 ' O ' HG23 ' A' ' 67' ' ' VAL . 8.8 t0 -52.24 -49.32 64.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.656 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.5 mp -64.02 -64.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.071 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' ILE . 34.9 mtpt -36.99 -40.2 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -68.65 -59.27 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 63' ' ' ASP . 56.6 t -41.75 -52.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.608 HG11 HG21 ' A' ' 40' ' ' VAL . 60.5 t -64.83 -56.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tp -46.31 -38.57 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -54.22 -60.7 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.513 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 87.6 m -39.12 -56.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.61 -58.39 7.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -39.4 -62.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.4 -55.07 9.47 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.513 ' CD2' ' O ' ' A' ' 71' ' ' THR . 75.0 m-70 -51.26 -50.44 59.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.792 0.329 . . . . 0.0 110.839 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.976 HD12 HG21 ' A' ' 99' ' ' VAL . 10.5 tp -48.34 -43.5 33.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.526 ' HG3' HG11 ' A' ' 24' ' ' VAL . 25.1 ttm180 -65.05 -40.05 94.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.9 t -66.88 -59.7 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.1 mm -49.37 -40.2 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.3 -51.63 55.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -43.58 -52.17 6.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.8 t -68.31 -18.76 64.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.42 HD23 ' CG1' ' A' ' 88' ' ' ILE . 7.0 tp -93.57 141.7 28.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.8 p -80.48 139.25 36.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.674 HG21 ' CD2' ' A' ' 129' ' ' LEU . 7.4 p -43.49 -33.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -71.45 -47.8 53.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -55.1 -43.31 73.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 85' ' ' VAL . 53.9 mt -51.61 -40.88 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' GLN . 30.4 m-85 -72.91 -51.57 18.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 89' ' ' TYR . 5.9 mm-40 -33.92 -63.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.66 105.51 4.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 94' ' ' GLN . 77.3 mtt180 -72.4 -57.54 4.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' ARG . 1.6 m-20 -37.52 -31.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 92' ' ' ARG . 57.6 tp60 -77.98 -47.75 17.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 92' ' ' ARG . 6.6 t80 -55.75 -50.22 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.867 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -65.7 -41.52 92.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -50.06 -35.02 23.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.562 ' O ' HG12 ' A' ' 102' ' ' VAL . 5.0 mp -70.52 -35.13 73.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.976 HG21 HD12 ' A' ' 76' ' ' LEU . 37.7 t -66.11 -43.36 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 24.3 ptt180 -75.95 -26.29 56.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -74.55 -41.59 60.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 98' ' ' LEU . 9.3 p -77.7 -25.07 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 104' ' ' ALA . . . -90.11 -47.2 7.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.765 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -29.32 -59.07 0.25 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.634 0.731 . . . . 0.0 111.1 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.765 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.3 Cg_endo -69.81 -34.12 15.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 103' ' ' ALA . 2.8 t70 -63.09 -53.17 57.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 108' ' ' GLY . 15.9 m -59.14 -48.06 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.492 ' N ' HG23 ' A' ' 107' ' ' VAL . . . -36.13 -48.76 1.14 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.8 mtp85 -44.95 -50.27 10.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 43.9 mtm -68.13 -41.61 81.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 125.53 31.16 0.85 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.67 HD12 HD13 ' A' ' 42' ' ' ILE . 50.6 mm -121.93 136.16 59.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.311 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.403 ' N ' ' HE2' ' A' ' 43' ' ' MET . 21.9 tt0 -113.18 137.16 51.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.68 ' O ' HD12 ' A' ' 114' ' ' ILE . 2.4 pp -94.66 128.94 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 115' ' ' LEU . 1.7 mm? -74.22 -51.26 15.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.976 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.7 m -165.08 -178.25 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.867 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 2.2 t80 -148.42 149.51 31.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -165.22 164.57 20.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 48.1 mm -103.17 114.68 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.65 ' HB2' HG23 ' A' ' 37' ' ' VAL . 3.0 tppt? -68.37 -68.14 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -152.15 145.69 24.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.435 HG23 HG22 ' A' ' 34' ' ' VAL . 2.4 p -131.48 119.85 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -137.13 155.08 50.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -101.37 113.55 26.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -60.86 -39.9 90.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.415 HG23 ' H ' ' A' ' 128' ' ' TYR . 27.6 m -69.76 -22.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.411 ' O ' ' CB ' ' A' ' 131' ' ' SER . 1.1 m-20 56.65 42.61 26.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 129' ' ' LEU . 0.6 OUTLIER -80.99 -52.43 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 -179.855 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.674 ' CD2' HG21 ' A' ' 85' ' ' VAL . 3.9 pp -77.51 -39.24 46.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.551 ' N ' HD12 ' A' ' 129' ' ' LEU . 2.9 m -68.62 -33.71 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 127' ' ' ASP . 1.0 OUTLIER -101.1 41.47 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.768 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 13.1 mt -71.37 -34.3 70.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -159.26 -101.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -132.91 168.99 17.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.826 0.346 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 14.8 t -162.06 139.58 8.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -92.46 -27.26 17.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 81.2 p -129.63 114.4 15.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.187 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.2 t -70.35 121.27 17.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.781 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 150.84 137.81 2.74 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 113.16 3.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.648 2.232 . . . . 0.0 112.325 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.0 m -137.67 131.23 31.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.7 t -117.16 -55.01 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -126.42 128.7 47.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.828 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.3 t -62.24 109.79 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.827 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.67 -172.17 13.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -128.16 151.8 48.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -171.28 172.3 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' GLN . . . -161.02 88.37 0.11 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' GLY . 2.8 tt0 34.02 41.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -159.16 144.61 16.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.584 ' HA ' HG12 ' A' ' 61' ' ' VAL . 19.1 tt -52.9 157.25 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 t -114.44 99.06 7.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.995 0.426 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 13' ' ' GLU . 6.3 tt -70.35 -44.59 67.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 12' ' ' LEU . 11.1 pt-20 -34.53 148.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.9 mt -50.53 151.21 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.57 ' HE2' HD12 ' A' ' 42' ' ' ILE . 3.0 ptt? -129.09 132.56 47.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.559 HG22 ' OE1' ' A' ' 18' ' ' GLN . 20.3 m -96.49 109.73 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -111.76 125.38 53.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.559 ' OE1' HG22 ' A' ' 16' ' ' THR . 1.1 mp0 -105.06 97.49 13.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.676 0.75 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.9 Cg_endo -69.68 96.75 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.776 2.318 . . . . 0.0 112.368 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 ptt-85 -108.42 140.21 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.809 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.766 ' HB2' HD23 ' A' ' 76' ' ' LEU . 50.5 m -143.31 113.79 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' HB3' HG23 ' A' ' 33' ' ' THR . 11.3 pt-20 -106.55 155.85 19.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.781 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 18.8 t70 67.63 45.77 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.816 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.866 HG12 ' HD2' ' A' ' 77' ' ' ARG . 34.5 m -104.76 109.3 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.08 105.97 1.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.599 HG21 ' CG2' ' A' ' 85' ' ' VAL . 71.6 p -56.64 -176.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 81' ' ' GLY . . . -52.91 -47.22 68.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' HG3' HG23 ' A' ' 30' ' ' VAL . 9.7 pt-20 -65.86 -40.79 92.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.47 50.23 0.2 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.516 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.435 HG23 ' HG3' ' A' ' 28' ' ' GLU . 22.1 t -132.69 125.92 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.784 0.326 . . . . 0.0 111.077 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 23' ' ' ASP . . . -71.43 123.48 22.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.473 HD22 ' O ' ' A' ' 31' ' ' ALA . 2.4 mm? -121.07 165.86 14.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.41 HG23 ' HB3' ' A' ' 22' ' ' GLU . 2.9 m -122.18 114.72 21.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.198 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.5 t -124.79 110.79 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.5 m -60.45 -54.17 48.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.93 142.83 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.419 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.463 HG23 ' HB2' ' A' ' 120' ' ' LYS . 18.6 t -146.96 118.1 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.99 153.16 48.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.46 ' HG2' HD22 ' A' ' 115' ' ' LEU . 7.1 tt0 -105.21 152.1 23.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.529 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 7.1 p -155.59 158.22 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.669 ' CG ' HD11 ' A' ' 115' ' ' LEU . 4.5 ptmt -158.72 148.58 19.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.57 HD12 ' HE2' ' A' ' 15' ' ' MET . 1.1 mp -67.97 138.29 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.517 ' O ' HG22 ' A' ' 42' ' ' ILE . 25.1 mtt -70.15 -175.83 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.77 159.62 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.178 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.49 ' HA ' HD23 ' A' ' 49' ' ' LEU . 3.0 pt-20 -97.48 24.05 7.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -34.08 -36.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' LEU . 4.2 tp10 -132.53 173.76 10.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 47' ' ' GLU . 77.5 mt -34.31 94.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.839 HD11 ' HB3' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -92.19 31.74 1.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.09 -14.45 60.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.02 -32.98 50.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.839 ' HB3' HD11 ' A' ' 49' ' ' LEU . . . -121.32 19.82 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.69 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -88.97 -34.47 16.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -106.26 -22.6 12.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.485 ' OE1' ' CB ' ' A' ' 110' ' ' MET . 2.9 tt0 -68.62 -27.82 66.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.518 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 22.8 m-85 -106.88 -63.89 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 53' ' ' CYS . 81.6 mt -40.6 -60.59 1.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -37.59 -33.4 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -103.74 168.86 8.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -73.23 170.02 15.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.584 HG12 ' HA ' ' A' ' 10' ' ' ILE . 5.3 m -65.75 -18.38 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -74.27 -43.23 57.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.58 -56.41 19.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 64' ' ' ILE . 2.6 mp -38.5 -66.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -44.76 -41.57 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 67' ' ' VAL . 6.5 m-80 -68.76 -66.64 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' ASN . 57.8 t -35.24 -49.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.37 -48.71 84.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.3 tp -55.58 -52.32 64.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -48.89 -43.87 39.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 48.1 m -51.66 -63.99 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.431 HD23 ' CB ' ' A' ' 103' ' ' ALA . 68.3 mt -58.71 -47.97 82.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -51.53 -68.78 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.42 -39.09 1.07 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.568 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -70.64 -42.9 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.371 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.766 HD23 ' HB2' ' A' ' 21' ' ' CYS . 8.2 tp -43.87 -53.45 6.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.866 ' HD2' HG12 ' A' ' 24' ' ' VAL . 28.6 ttt-85 -65.83 -64.45 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 77' ' ' ARG . 1.8 m -36.22 -47.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' LEU . 11.1 mm -73.41 -56.01 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.764 HD13 HG21 ' A' ' 24' ' ' VAL . 7.9 tt -35.87 -42.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.525 ' O ' ' HB2' ' A' ' 27' ' ' ALA . . . -56.91 -45.56 91.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 79' ' ' ILE . 69.7 p -50.25 -32.42 16.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 111.219 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.4 mt -97.24 167.46 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 85' ' ' VAL . 68.4 p -105.55 149.06 26.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.599 ' CG2' HG21 ' A' ' 26' ' ' THR . 19.0 t -36.59 -48.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -56.4 -69.52 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -39.41 -57.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 85' ' ' VAL . 71.1 mt -39.93 -49.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.212 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.581 ' CE1' HG13 ' A' ' 122' ' ' VAL . 28.1 m-85 -67.91 -54.06 21.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 89' ' ' TYR . 15.9 mm-40 -34.54 -59.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -133.75 91.74 2.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -56.34 -43.58 79.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.5 -56.04 26.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -41.48 -44.39 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.84 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.802 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.635 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -43.89 -42.02 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -48.31 -44.76 34.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.435 ' O ' HG12 ' A' ' 102' ' ' VAL . 13.4 mt -70.27 -29.79 66.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.979 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.462 HG21 HD12 ' A' ' 76' ' ' LEU . 87.9 t -72.73 -35.73 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.474 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 7.0 ptt180 -85.25 -29.76 24.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 100' ' ' ARG . 30.4 mm-40 -70.81 -33.05 70.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 98' ' ' LEU . 8.1 p -79.74 -32.24 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.581 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -80.93 -36.87 30.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.78 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -34.43 -60.26 0.52 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.543 0.687 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.78 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.0 Cg_endo -69.75 -21.81 33.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.621 2.214 . . . . 0.0 112.365 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 103' ' ' ALA . 14.2 t0 -75.59 -60.73 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.911 HG12 ' CE ' ' A' ' 110' ' ' MET . 2.1 m -51.66 -23.78 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.075 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.38 -23.81 62.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -65.06 -52.81 53.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.719 0.295 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.911 ' CE ' HG12 ' A' ' 107' ' ' VAL . 11.8 ptt? -70.47 -31.72 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.816 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.401 ' C ' HD13 ' A' ' 112' ' ' ILE . . . 119.37 19.97 4.08 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.449 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.529 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 9.8 mm -111.06 145.6 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -123.33 136.7 54.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.756 ' O ' HD12 ' A' ' 114' ' ' ILE . 2.3 pp -79.59 126.49 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.669 HD11 ' CG ' ' A' ' 41' ' ' LYS . 10.8 mp -87.56 -52.64 5.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 t -154.79 150.05 27.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.635 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 1.7 t80 -137.88 115.64 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.649 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.8 m -132.19 171.84 13.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.649 ' H ' HG22 ' A' ' 118' ' ' THR . 16.8 mm -107.51 137.63 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.463 ' HB2' HG23 ' A' ' 37' ' ' VAL . 16.0 ttmt -92.52 -69.72 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -148.69 144.97 27.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.581 HG13 ' CE1' ' A' ' 89' ' ' TYR . 2.4 p -132.6 118.19 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.128 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -132.95 162.99 30.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.49 116.45 31.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.7 mmtm -68.12 -40.18 82.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 28.4 m -71.66 -14.13 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 45.44 46.25 10.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.44 -42.93 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.5 mp -81.87 -34.71 29.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.1 t -58.6 -30.14 66.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.6 m -57.33 -45.41 84.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 20.3 mt -54.7 -32.87 60.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -143.53 80.69 0.23 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.62 17.94 22.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 64.7 p -90.23 84.62 6.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -114.79 148.34 38.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 19.8 m -142.56 136.62 29.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.4 t -142.92 151.13 40.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 140.98 83.88 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 177.5 5.51 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.675 2.25 . . . . 0.0 112.394 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.6 t -134.96 152.8 52.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.8 t -108.93 143.31 38.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.476 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -86.8 148.89 25.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -165.79 177.82 6.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.17 124.36 0.7 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.6 p -128.07 110.07 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.3 p -70.68 -45.02 65.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.37 -125.99 5.75 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 61.23 35.84 18.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 110.946 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -39.63 153.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' ARG . 8.1 tt -35.67 141.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.176 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.2 p -152.8 128.55 10.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.551 HD23 ' C ' ' A' ' 12' ' ' LEU . 7.1 tt -64.9 104.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.971 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -143.83 164.64 29.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.0 mt -87.76 121.77 38.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.172 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.3 mtm -100.32 129.07 46.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.5 m -90.28 106.61 18.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.513 HD13 ' CG1' ' A' ' 40' ' ' VAL . 10.2 mp -115.39 119.25 35.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -108.36 97.6 23.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.722 . . . . 0.0 110.912 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 18' ' ' GLN . 53.2 Cg_endo -69.83 112.08 2.99 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.713 2.275 . . . . 0.0 112.288 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -114.23 153.62 29.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.9 p -139.0 130.91 27.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 37.7 mt-10 -126.17 160.91 28.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.4 p30 46.62 47.27 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 m -118.24 119.25 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 31' ' ' ALA . 1.9 mm-40 -80.06 152.6 29.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.748 HG22 ' CD2' ' A' ' 80' ' ' LEU . 4.2 p -100.76 176.11 5.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -36.12 -39.7 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -76.26 -41.76 47.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' THR . . . 124.59 15.1 3.35 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 26' ' ' THR . 2.5 t -92.98 121.71 43.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 0.0 111.077 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.457 ' N ' ' OE1' ' A' ' 25' ' ' GLU . . . -69.79 119.38 13.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 30' ' ' VAL . 3.3 mm? -115.49 158.93 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -120.93 103.95 9.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.867 HG13 HG22 ' A' ' 122' ' ' VAL . 21.5 t -115.79 126.53 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.7 m -80.35 -54.11 6.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.0 146.05 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 120' ' ' LYS . 22.4 t -148.98 125.44 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 111.155 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 116' ' ' SER . . . -145.74 155.68 43.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -108.95 137.68 46.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.513 ' CG1' HD13 ' A' ' 17' ' ' LEU . 9.8 p -136.35 157.86 37.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HE2' HD21 ' A' ' 115' ' ' LEU . 23.7 pttt -151.38 156.3 40.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mt -87.3 135.76 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.479 ' CE ' ' HB2' ' A' ' 113' ' ' GLU . 62.1 mtm -88.27 177.69 6.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.88 -178.91 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.094 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 15.9 mm-40 -140.26 135.44 32.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -69.64 -4.25 18.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -122.93 -60.62 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 13.8 mt -159.31 149.69 19.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.697 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -131.8 18.57 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.86 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.66 -33.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.417 HG13 HD13 ' A' ' 49' ' ' LEU . 2.7 p -46.87 -42.16 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.697 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . . . -107.74 -36.51 6.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 4.6 m -58.5 -47.93 82.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -78.3 -11.06 59.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -90.38 -16.89 28.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.434 ' CD1' HG13 ' A' ' 64' ' ' ILE . 26.6 m-85 -115.5 -42.97 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.7 mt -40.87 106.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.95 -41.22 1.28 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.425 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.13 -177.18 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' ASP . 32.3 m120 -100.43 151.17 21.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.509 HG23 ' H ' ' A' ' 62' ' ' GLN . 3.1 m -38.61 -53.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.509 ' H ' HG23 ' A' ' 61' ' ' VAL . 11.9 pt20 -48.39 -38.74 20.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' ASN . 12.5 t0 -59.74 -45.3 92.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.434 HG13 ' CD1' ' A' ' 56' ' ' PHE . 2.8 mp -58.39 -58.15 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.54 -45.83 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -56.96 -63.26 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.9 t -40.65 -59.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.9 t -57.05 -44.48 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.2 tp -55.31 -41.1 71.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -59.37 -35.85 74.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.514 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 26.6 m -63.18 -60.04 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.487 HD23 ' CB ' ' A' ' 103' ' ' ALA . 96.2 mt -62.97 -44.33 96.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -60.43 -52.53 64.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.91 -40.98 27.89 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 71' ' ' THR . 77.1 m-70 -70.31 -52.12 25.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.674 HD12 HG21 ' A' ' 99' ' ' VAL . 12.0 tp -35.39 -52.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -65.41 -39.57 92.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 75' ' ' HIS . 27.9 p -60.27 -46.64 89.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 44.7 mm -66.79 -45.51 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.748 ' CD2' HG22 ' A' ' 26' ' ' THR . 3.6 tt -57.3 -49.5 75.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -44.97 -51.05 8.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.2 t -75.46 -13.91 60.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 111.159 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 95' ' ' PHE . 3.3 tp -98.42 123.71 42.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.411 ' O ' HD12 ' A' ' 88' ' ' ILE . 38.7 p -65.88 141.0 58.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.556 ' HA ' HD13 ' A' ' 88' ' ' ILE . 7.4 p -45.77 -39.7 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.143 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.52 -36.07 71.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.19 -53.36 25.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.568 HG13 HD23 ' A' ' 83' ' ' LEU . 3.6 mp -43.88 -47.64 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -72.2 -52.71 15.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -41.8 -61.6 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.92 107.84 8.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -81.06 -52.41 7.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.89 -35.99 16.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.788 ' O ' HD12 ' A' ' 98' ' ' LEU . 21.1 tm0? -71.41 -40.75 70.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.576 ' CD1' HD22 ' A' ' 83' ' ' LEU . 22.7 t80 -64.22 -35.14 79.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.559 ' HB1' ' HD1' ' A' ' 117' ' ' PHE . . . -71.29 -15.25 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -81.88 -51.41 8.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 94' ' ' GLN . 5.4 mp -51.18 -17.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.674 HG21 HD12 ' A' ' 76' ' ' LEU . 22.2 t -89.93 -65.48 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.573 ' HB3' ' CD2' ' A' ' 117' ' ' PHE . 9.5 ptt180 -56.72 -24.71 51.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -75.32 -32.72 61.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 99' ' ' VAL . 14.0 p -89.0 -22.25 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -90.76 -29.59 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.12 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.799 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -50.39 -60.76 4.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.799 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.1 Cg_endo -69.71 -1.78 9.02 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.38 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.76 -60.15 1.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 103' ' ' ALA . 4.8 m -53.24 -37.97 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -45.22 -51.26 9.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -48.15 -49.33 32.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 45.1 mtm -65.11 -34.16 77.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.25 0.65 7.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.452 ' CG2' ' CG2' ' A' ' 40' ' ' VAL . 35.4 mm -101.24 142.86 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.479 ' HB2' ' CE ' ' A' ' 43' ' ' MET . 2.8 tp10 -126.05 132.3 51.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.432 HG23 HG21 ' A' ' 107' ' ' VAL . 2.3 pp -80.44 142.98 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.415 HD21 ' HE2' ' A' ' 41' ' ' LYS . 95.5 mt -96.65 -51.36 4.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.405 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 3.8 t -156.6 168.68 26.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 100' ' ' ARG . 1.9 t80 -146.75 129.58 16.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.639 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.8 m -144.4 172.33 13.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.639 ' H ' HG22 ' A' ' 118' ' ' THR . 27.6 mm -110.88 125.32 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.441 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -81.78 -72.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -139.89 145.03 37.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.867 HG22 HG13 ' A' ' 34' ' ' VAL . 19.8 t -139.98 110.12 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 123' ' ' TYR . 1.5 p90 -128.97 171.02 12.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 17.8 p-10 -113.81 119.68 38.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -61.3 -53.32 58.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.6 m -73.21 3.42 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.2 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 43.8 36.2 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.755 ' CD2' HD13 ' A' ' 129' ' ' LEU . 11.1 t80 -45.68 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.836 ' H ' HD22 ' A' ' 129' ' ' LEU . 0.3 OUTLIER -61.42 -49.2 77.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.961 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.9 m -42.06 -33.14 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.0 m -82.17 -40.62 21.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.812 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 129' ' ' LEU . 63.4 mt -52.03 -34.53 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 97.32 77.87 1.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.508 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -122.41 11.78 10.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 32.0 p -137.34 107.91 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -60.33 89.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 13.0 t -80.76 153.3 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.2 t -169.68 146.35 3.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 130.09 144.46 5.59 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 173.9 10.27 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 10.6 t -109.67 166.67 10.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.795 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 49.0 p -165.11 173.07 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -111.94 89.33 3.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.95 0.405 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t -81.65 44.83 0.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.23 77.01 0.18 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 p -109.23 119.52 39.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -133.9 113.3 12.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.28 95.0 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.441 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.8 41.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.765 0.317 . . . . 0.0 110.947 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.0 ttm-85 -106.98 133.68 51.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.3 tt -55.34 150.51 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.1 p -103.29 105.91 16.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 tp -85.98 -48.0 9.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -40.28 153.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.5 mt -55.79 127.76 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.478 ' HG3' HD13 ' A' ' 17' ' ' LEU . 2.5 ptt? -108.6 137.03 47.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.1 m -94.05 110.08 21.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.478 HD13 ' HG3' ' A' ' 15' ' ' MET . 9.2 mp -113.52 113.35 25.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -106.08 97.46 15.73 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.623 0.725 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 113.01 3.23 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -114.03 132.85 55.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.611 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.8 m -112.26 138.96 48.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 54.2 mt-10 -128.85 151.14 49.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.539 ' HA ' ' HB1' ' A' ' 31' ' ' ALA . 2.9 p-10 46.68 49.89 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 24' ' ' VAL . 35.7 m -105.01 105.75 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -60.38 126.86 29.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.55 HG22 HD21 ' A' ' 80' ' ' LEU . 41.4 p -75.78 -175.2 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 81' ' ' GLY . . . -45.17 -56.29 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' HG3' HG23 ' A' ' 30' ' ' VAL . 13.6 pt-20 -66.27 -43.45 86.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 134.42 41.8 0.15 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.539 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.51 HG12 ' CD2' ' A' ' 32' ' ' LEU . 96.5 t -114.12 124.03 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 111.156 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' A' ' 23' ' ' ASP . . . -71.3 120.29 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.806 HD21 HG23 ' A' ' 85' ' ' VAL . 4.2 mm? -120.37 164.91 15.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.418 HG21 ' CE2' ' A' ' 123' ' ' TYR . 14.7 m -128.12 112.83 15.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.577 HG13 HG22 ' A' ' 122' ' ' VAL . 57.5 t -120.77 116.22 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 58.4 m -65.99 -52.51 48.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.55 146.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 24.3 t -151.62 119.74 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.095 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 116' ' ' SER . . . -141.52 142.56 33.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -89.4 154.96 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.457 ' CG2' ' CG2' ' A' ' 112' ' ' ILE . 8.7 p -157.32 144.69 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.537 ' HG2' HD21 ' A' ' 115' ' ' LEU . 21.6 pttt -137.9 160.85 38.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.664 HD13 ' CD1' ' A' ' 112' ' ' ILE . 47.2 mm -81.12 112.49 19.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 42' ' ' ILE . 6.8 mtt -45.71 172.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.73 166.08 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 45' ' ' GLU . 1.0 OUTLIER -111.26 126.88 55.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -102.54 -49.44 3.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -121.31 -52.5 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 tp -153.15 125.93 8.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.639 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -117.47 33.34 5.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.07 -24.44 67.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.043 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 52' ' ' ALA . 4.4 p -54.71 -47.97 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.639 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . . . -99.5 -40.84 7.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.3 m -44.17 -65.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -61.63 -36.31 80.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -53.16 -32.16 46.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.546 ' CD1' HG13 ' A' ' 64' ' ' ILE . 6.3 m-85 -99.57 -52.16 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 56' ' ' PHE . 24.0 mt -33.28 140.48 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.43 -37.93 3.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.488 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -99.39 171.53 7.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.768 0.318 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -87.68 166.0 14.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.479 ' HA ' HD13 ' A' ' 64' ' ' ILE . 16.7 m -51.13 -25.15 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.458 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 56.6 mt-30 -58.35 -50.45 73.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.637 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -48.28 -56.26 8.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.751 ' H ' HD12 ' A' ' 64' ' ' ILE . 5.3 mp -52.13 -70.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -38.34 -42.32 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 62' ' ' GLN . 53.5 m-80 -66.62 -62.16 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 63' ' ' ASP . 63.4 t -40.0 -61.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.8 t -53.73 -48.48 60.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -53.76 -47.31 70.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -53.31 -44.55 68.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.455 HG21 ' CG1' ' A' ' 107' ' ' VAL . 62.7 m -50.06 -62.6 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.447 HD23 ' CB ' ' A' ' 103' ' ' ALA . 26.6 mt -63.8 -53.59 48.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -44.09 -59.2 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.02 -48.73 45.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -59.79 -38.45 81.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.884 0.374 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.615 HD12 HG21 ' A' ' 99' ' ' VAL . 10.3 tp -50.23 -45.12 53.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -74.42 -34.63 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.2 p -63.25 -50.22 71.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.478 ' O ' ' C ' ' A' ' 80' ' ' LEU . 36.5 mm -67.13 -65.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.55 HD21 HG22 ' A' ' 26' ' ' THR . 6.1 tt -31.55 -40.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.481 ' O ' ' HB2' ' A' ' 27' ' ' ALA . . . -42.95 -67.7 0.9 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 79' ' ' ILE . 5.5 t -46.49 -34.77 5.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.132 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.7 mt -79.98 140.09 36.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.6 p -87.26 145.79 26.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.806 HG23 HD21 ' A' ' 32' ' ' LEU . 7.7 p -39.78 -43.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.452 ' N ' HG13 ' A' ' 85' ' ' VAL . 2.9 tt0 -61.58 -68.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -38.99 -53.26 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 70.2 mt -41.99 -62.18 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.421 ' CE2' HD11 ' A' ' 32' ' ' LEU . 38.6 m-85 -52.56 -51.4 59.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -49.8 -64.34 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.18 78.82 1.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.54 ' HG3' HG21 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -80.85 -24.35 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' N ' ' HG2' ' A' ' 92' ' ' ARG . 0.9 OUTLIER -56.72 -51.15 69.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -61.18 -48.56 80.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -41.39 -55.87 2.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.861 ' HB2' HD11 ' A' ' 119' ' ' ILE . . . -44.38 -47.31 9.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 100' ' ' ARG . 10.9 ttmm -53.46 -57.49 10.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.585 ' O ' HG12 ' A' ' 102' ' ' VAL . 9.1 mp -41.22 -27.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.615 HG21 HD12 ' A' ' 76' ' ' LEU . 11.4 t -84.9 -40.93 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.48 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 21.5 ptt85 -67.44 -36.37 81.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.461 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 0.8 OUTLIER -70.77 -47.02 61.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 98' ' ' LEU . 7.2 p -68.37 -27.75 37.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.447 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -85.87 -39.83 16.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.763 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -34.0 -60.11 0.49 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.55 0.691 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.763 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 54.2 Cg_endo -69.76 -32.38 18.7 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -61.11 -53.18 60.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.455 ' CG1' HG21 ' A' ' 71' ' ' THR . 16.7 m -61.95 -43.22 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' VAL . . . -37.81 -52.23 1.99 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.465 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -42.6 -51.15 5.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 51.0 mtm -65.85 -43.17 89.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.818 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 125.34 33.32 0.73 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.664 ' CD1' HD13 ' A' ' 42' ' ' ILE . 20.3 mm -123.69 135.47 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.782 0.325 . . . . 0.0 111.183 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -110.04 131.76 54.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.409 HD11 ' NH1' ' A' ' 100' ' ' ARG . 2.3 pp -89.6 140.56 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.537 HD21 ' HG2' ' A' ' 41' ' ' LYS . 3.1 mm? -89.58 -55.72 3.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.983 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.439 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 1.4 t -158.91 174.56 14.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.816 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.734 ' CD1' ' HB1' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -147.95 119.33 7.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.614 HG22 ' H ' ' A' ' 119' ' ' ILE . 5.0 m -135.07 170.17 16.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.861 HD11 ' HB2' ' A' ' 96' ' ' ALA . 23.9 mm -100.29 137.92 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -99.5 -52.24 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -162.16 142.91 10.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.577 HG22 HG13 ' A' ' 34' ' ' VAL . 90.3 t -137.48 119.98 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.418 ' CE2' HG21 ' A' ' 33' ' ' THR . 2.2 p90 -136.02 171.31 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 124' ' ' ASP . 21.9 p-10 -110.03 120.06 41.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -74.42 -42.56 58.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 17.9 m -64.13 -17.54 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 51.83 39.2 25.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -78.29 -55.22 5.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.656 HD12 ' N ' ' A' ' 130' ' ' SER . 3.7 pp -73.57 -41.62 62.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.656 ' N ' HD12 ' A' ' 129' ' ' LEU . 9.2 t -60.78 -38.21 84.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.2 m -55.15 -50.85 68.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 27.4 mt -53.47 -33.38 53.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 41.33 84.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -73.66 85.34 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 135' ' ' THR . 20.5 m -112.2 39.46 2.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -72.4 172.87 9.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 59.8 m -150.09 145.59 26.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.182 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.4 t -140.94 154.62 46.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 101.87 146.25 17.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.443 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 110.83 2.65 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.0 m -116.65 121.18 40.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.9 p -154.38 154.61 33.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.546 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -134.73 155.79 49.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.839 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -137.97 141.01 40.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.8 116.09 1.54 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.439 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 t -154.41 153.3 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.949 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 m -86.02 101.94 13.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.04 127.55 1.53 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.433 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.501 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -132.74 84.77 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -165.13 141.33 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 11' ' ' SER . 6.1 tp -49.15 146.26 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.197 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.423 ' N ' HG13 ' A' ' 10' ' ' ILE . 19.6 t -82.23 122.37 27.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.2 tp -126.68 -45.75 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -50.46 161.76 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.2 mt -75.68 140.95 16.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.496 ' CE ' HG21 ' A' ' 68' ' ' VAL . 14.4 ptt? -118.78 126.04 50.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 m -79.47 108.46 13.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.765 HD12 HG11 ' A' ' 40' ' ' VAL . 81.3 mt -114.04 109.85 19.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -100.74 99.18 9.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.916 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HA ' HD11 ' A' ' 69' ' ' LEU . 53.4 Cg_endo -69.76 101.19 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.708 2.272 . . . . 0.0 112.374 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -106.29 129.6 54.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.611 ' HB3' HG11 ' A' ' 24' ' ' VAL . 72.3 m -123.86 111.98 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.491 ' CB ' HG23 ' A' ' 33' ' ' THR . 10.1 pt-20 -107.77 154.78 21.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 59.04 43.04 18.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 24' ' ' VAL . 21.7 m -104.05 102.41 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.58 114.42 4.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.66 HG22 HD21 ' A' ' 80' ' ' LEU . 1.2 p -76.09 179.96 5.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 81' ' ' GLY . . . -40.85 -54.82 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -59.51 -29.36 67.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' THR . . . 112.93 -6.13 25.65 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.456 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.633 ' O ' HG23 ' A' ' 26' ' ' THR . 10.9 t -75.45 130.31 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 111.132 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.89 119.4 23.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -115.08 165.62 12.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.491 HG23 ' CB ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -124.77 104.8 8.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.77 HG22 HG12 ' A' ' 122' ' ' VAL . 78.2 t -108.56 113.09 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.0 m -65.25 -54.07 34.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.191 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.01 141.63 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.422 HG23 ' HB2' ' A' ' 120' ' ' LYS . 10.5 t -145.38 112.72 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.186 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -131.62 153.71 49.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -105.32 145.32 30.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.765 HG11 HD12 ' A' ' 17' ' ' LEU . 7.5 p -147.92 153.04 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' NZ ' HD11 ' A' ' 115' ' ' LEU . 6.1 pttm -143.76 158.43 43.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.612 HD13 ' CD1' ' A' ' 112' ' ' ILE . 18.7 mm -81.11 123.72 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.6 mtm -64.64 143.88 57.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.56 162.51 23.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -92.46 27.45 2.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -41.99 -39.67 1.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' LEU . 10.4 mm-40 -129.27 -177.68 4.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' GLU . 41.7 mt -36.68 95.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -102.54 32.79 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.8 6.81 14.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.156 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.2 p -91.68 -27.26 4.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.526 ' HB3' HD11 ' A' ' 49' ' ' LEU . . . -113.63 -40.75 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 5.0 t -40.8 -59.29 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -70.29 -31.67 69.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -61.16 -31.16 70.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.616 ' HB3' HD11 ' A' ' 64' ' ' ILE . 18.7 m-85 -99.31 -51.58 3.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' PHE . 14.3 mt -34.23 131.0 0.32 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.05 -25.32 27.42 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.489 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -97.5 160.5 14.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -83.46 164.83 19.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 23.6 m -59.16 -19.51 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -74.48 -52.64 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.815 ' O ' HG23 ' A' ' 67' ' ' VAL . 7.5 m-20 -48.79 -46.99 42.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 56' ' ' PHE . 6.0 mt -54.86 -70.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.522 ' N ' HG22 ' A' ' 64' ' ' ILE . 43.0 mttt -39.03 -36.67 0.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -72.33 -48.6 40.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 63' ' ' ASP . 48.8 t -51.12 -49.09 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.59 HG22 HG13 ' A' ' 112' ' ' ILE . 88.7 t -65.09 -48.35 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.454 HD11 ' HA ' ' A' ' 19' ' ' PRO . 9.3 tp -58.28 -34.48 70.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -62.07 -39.56 92.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.471 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 82.7 m -60.15 -56.85 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.408 HD23 ' CB ' ' A' ' 103' ' ' ALA . 96.4 mt -62.15 -41.92 98.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.1 -58.83 6.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -43.96 -45.76 7.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.421 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.937 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 93.3 m-70 -60.18 -36.63 78.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.592 HD12 HG21 ' A' ' 99' ' ' VAL . 12.9 tp -57.84 -61.9 2.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.403 ' CD ' HG12 ' A' ' 24' ' ' VAL . 25.1 ttt180 -54.23 -42.23 69.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -61.07 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.428 HG22 ' HE1' ' A' ' 95' ' ' PHE . 22.8 mm -54.35 -32.59 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.66 HD21 HG22 ' A' ' 26' ' ' THR . 5.4 tt -72.06 -42.2 66.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -49.81 -53.88 20.11 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.9 t -68.26 -26.56 65.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 111.124 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.715 HD22 ' CE1' ' A' ' 95' ' ' PHE . 7.4 tp -83.66 134.63 34.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.0 p -72.95 154.36 40.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.556 ' HA ' HD12 ' A' ' 88' ' ' ILE . 4.3 p -59.67 -42.73 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -61.02 -35.32 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -68.46 -50.28 53.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 85' ' ' VAL . 36.4 mt -46.72 -37.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 90' ' ' GLN . 32.9 m-85 -76.19 -46.05 30.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 89' ' ' TYR . 18.7 mt-30 -38.14 -67.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.88 120.01 18.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 95' ' ' PHE . 44.0 mtm180 -87.55 -58.92 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' ARG . 1.7 p-10 -37.24 -43.23 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.804 HE22 HD11 ' A' ' 98' ' ' LEU . 25.1 tm0? -65.78 -40.58 92.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.715 ' CE1' HD22 ' A' ' 83' ' ' LEU . 9.3 t80 -55.96 -63.74 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.442 ' HB1' ' CD1' ' A' ' 117' ' ' PHE . . . -46.79 -40.8 14.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -51.18 -38.2 50.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.804 HD11 HE22 ' A' ' 94' ' ' GLN . 20.1 mt -76.21 -39.66 54.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.592 HG21 HD12 ' A' ' 76' ' ' LEU . 61.0 t -66.85 -29.22 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.503 ' O ' ' HB2' ' A' ' 104' ' ' ALA . 7.6 ptp180 -86.85 -29.07 22.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.409 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 3.6 mm-40 -74.26 -37.81 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.9 p -72.25 -36.73 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.937 ' HB2' ' CD2' ' A' ' 75' ' ' HIS . . . -83.15 -38.2 22.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.06 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.717 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -33.35 -58.07 0.53 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.701 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 55.0 Cg_endo -69.72 -26.58 27.6 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.379 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.0 OUTLIER -70.54 -55.66 8.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.685 HG21 HG23 ' A' ' 114' ' ' ILE . 6.1 m -48.09 -32.72 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.89 -30.76 70.37 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.519 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.98 -47.88 83.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.863 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.443 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 3.0 ptt? -76.58 -30.68 57.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.33 26.8 3.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.439 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.612 ' CD1' HD13 ' A' ' 42' ' ' ILE . 28.3 mm -117.78 145.58 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.155 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -118.11 140.8 49.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.685 HG23 HG21 ' A' ' 107' ' ' VAL . 1.7 pp -96.25 136.37 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.191 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.691 HD22 ' N ' ' A' ' 115' ' ' LEU . 1.5 mm? -89.24 -48.76 7.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.957 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.04 157.43 9.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.471 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 1.6 t80 -130.66 123.42 29.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.467 HG22 ' H ' ' A' ' 119' ' ' ILE . 0.3 OUTLIER -127.18 168.64 14.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.467 ' H ' HG22 ' A' ' 118' ' ' THR . 41.2 mm -113.17 104.29 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.422 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -56.17 -74.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -158.45 142.87 15.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.77 HG12 HG22 ' A' ' 34' ' ' VAL . 35.7 m -120.92 124.51 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.072 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -137.13 164.88 27.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -97.49 111.78 23.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -65.63 -30.9 71.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.35 5.1 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 41.14 53.45 3.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -85.03 -44.34 13.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' A' ' 132' ' ' LEU . 16.2 mt -58.68 -38.68 78.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.2 t -57.81 -44.52 86.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.7 t -52.32 -48.49 65.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 129' ' ' LEU . 17.0 mt -55.46 -33.2 63.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -91.93 -84.25 1.48 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.478 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -133.2 172.3 12.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 61.0 p -117.94 99.28 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -174.96 155.43 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 138' ' ' SER . 22.4 p -73.08 -46.02 53.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 137' ' ' THR . 12.3 t -35.28 -46.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 61.14 -157.73 31.52 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 124.1 10.73 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.638 2.226 . . . . 0.0 112.333 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.4 m -105.76 171.49 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.7 m -161.16 172.3 16.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.935 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 m -64.56 98.29 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.912 0.387 . . . . 0.0 110.878 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -152.19 168.96 23.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.782 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.14 149.99 17.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.532 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -157.29 105.19 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m -91.23 136.25 33.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.58 136.55 4.2 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -86.24 36.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.308 . . . . 0.0 110.859 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' O ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -115.32 106.25 13.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.0 tt -48.16 134.83 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.3 p -95.87 103.38 15.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.89 -28.7 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 14' ' ' ILE . 5.7 tp10 -42.35 147.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.417 ' N ' ' HG3' ' A' ' 13' ' ' GLU . 26.6 mt -53.0 140.22 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.419 ' CG ' HG13 ' A' ' 40' ' ' VAL . 2.9 ptt? -125.11 139.36 53.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.423 HG23 ' OE1' ' A' ' 39' ' ' GLN . 6.6 m -100.48 104.49 15.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.527 HD12 HG11 ' A' ' 40' ' ' VAL . 86.6 mt -100.82 125.6 47.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG2' HG22 ' A' ' 37' ' ' VAL . 47.0 mt-30 -105.18 97.48 13.59 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.588 0.709 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.429 ' HA ' ' CD ' ' A' ' 73' ' ' GLU . 54.4 Cg_endo -69.8 86.37 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -95.69 131.06 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.7 p -123.43 123.27 40.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.74 142.36 51.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 t70 69.31 47.91 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 24' ' ' VAL . 35.0 m -115.73 105.8 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -59.89 133.11 55.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.453 HG22 ' CD2' ' A' ' 80' ' ' LEU . 71.9 p -83.57 -175.41 5.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.212 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.49 -53.17 4.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.89 -43.6 71.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.45 28.94 0.4 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.9 t -99.09 131.05 47.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.779 0.323 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.37 111.48 20.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.419 HD11 HD21 ' A' ' 129' ' ' LEU . 4.3 mm? -109.83 165.93 11.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -128.35 107.98 10.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.437 HG22 ' CG2' ' A' ' 122' ' ' VAL . 99.2 t -119.43 119.58 61.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.127 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.1 m -68.21 -54.99 13.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.06 142.68 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.544 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.715 HG23 ' HB2' ' A' ' 120' ' ' LYS . 53.3 t -140.75 126.5 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.892 0.377 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.89 146.98 33.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.441 ' CG ' HD22 ' A' ' 115' ' ' LEU . 15.5 tp60 -103.43 132.7 49.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.527 HG11 HD12 ' A' ' 17' ' ' LEU . 8.4 p -135.53 155.12 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 1.012 ' HG2' HD11 ' A' ' 115' ' ' LEU . 7.1 pttm -144.17 150.89 38.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.52 HD13 ' CD1' ' A' ' 112' ' ' ILE . 49.8 mm -75.15 103.58 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.515 ' HE3' ' C ' ' A' ' 112' ' ' ILE . 7.1 mtm -42.53 152.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.63 156.09 16.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.521 ' HA ' HD23 ' A' ' 49' ' ' LEU . 1.5 pt-20 -65.81 107.37 1.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -114.88 -33.0 5.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -167.95 112.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.5 mt 51.94 53.05 13.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -62.63 -16.25 55.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.13 -25.85 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.04 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 p -51.92 -41.87 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.188 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.821 ' HB2' ' O ' ' A' ' 110' ' ' MET . . . -108.24 -29.86 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.073 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.7 t -42.67 -68.98 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.27 -32.4 73.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -58.73 -24.72 62.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.662 ' CE2' ' HB1' ' A' ' 52' ' ' ALA . 23.6 m-85 -105.77 -47.75 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.817 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' PHE . 20.3 mt -36.11 154.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.43 -41.35 2.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.532 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.432 ' HE3' ' CG ' ' A' ' 63' ' ' ASP . 4.9 mtpp -88.1 165.31 15.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.442 ' O ' HD12 ' A' ' 64' ' ' ILE . 9.3 t-20 -99.86 177.74 5.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 m -53.36 -34.82 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.44 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 40.1 mt-30 -54.22 -43.69 71.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.778 ' O ' HG23 ' A' ' 67' ' ' VAL . 3.0 m-20 -62.94 -51.14 68.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.537 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.8 mp -60.07 -59.54 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -43.31 -37.86 2.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 62' ' ' GLN . 73.0 m-20 -77.49 -63.32 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 63' ' ' ASP . 84.0 t -36.88 -43.65 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.0 t -75.89 -62.06 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -42.54 -33.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -67.69 -42.73 81.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.477 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 18.0 m -54.12 -54.85 33.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.2 mt -68.49 -48.43 64.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' CD ' ' HA ' ' A' ' 19' ' ' PRO . 3.7 mm-40 -51.55 -58.76 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.92 -52.87 15.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 71' ' ' THR . 63.9 m-70 -52.34 -42.13 63.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.808 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.813 HD12 HG21 ' A' ' 99' ' ' VAL . 12.8 tp -51.7 -54.91 23.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -55.28 -42.68 73.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.2 t -61.86 -59.05 5.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.606 HG22 ' HE1' ' A' ' 95' ' ' PHE . 35.7 mm -60.28 -29.24 43.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.665 ' O ' HD23 ' A' ' 80' ' ' LEU . 5.4 tt -75.99 -28.64 57.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.53 -55.26 18.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 t -67.05 -12.08 58.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.795 0.331 . . . . 0.0 111.086 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.4 tp -103.15 133.62 47.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 65.2 p -74.59 148.94 40.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.071 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.571 ' HA ' HD12 ' A' ' 88' ' ' ILE . 2.0 p -48.12 -37.77 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.02 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -38.58 -53.16 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 85' ' ' VAL . 53.3 mt -40.02 -44.41 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.561 ' HE1' HG13 ' A' ' 122' ' ' VAL . 57.7 m-85 -73.44 -49.09 28.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' TYR . 12.7 mm100 -35.1 -64.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.43 88.69 2.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -62.33 -56.8 14.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -45.78 -42.07 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 36.0 tp60 -61.4 -49.04 78.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.606 ' HE1' HG22 ' A' ' 79' ' ' ILE . 23.6 t80 -50.52 -62.21 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.76 -44.47 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -49.73 -38.67 34.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.639 ' O ' HG12 ' A' ' 102' ' ' VAL . 24.2 mt -69.88 -43.97 70.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.813 HG21 HD12 ' A' ' 76' ' ' LEU . 61.6 t -61.4 -40.22 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.489 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 4.3 ptp180 -76.57 -35.26 58.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.469 ' O ' ' CD ' ' A' ' 105' ' ' PRO . 41.5 mt-10 -68.43 -42.18 79.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 98' ' ' LEU . 11.7 p -76.23 -25.72 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.581 ' O ' HG22 ' A' ' 107' ' ' VAL . . . -86.94 -33.18 19.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.688 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -45.31 -56.53 9.22 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.546 0.689 . . . . 0.0 111.08 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.688 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.9 Cg_endo -69.77 -19.63 35.82 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.407 ' HB2' ' HA ' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -78.69 -60.99 2.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.883 HG12 ' CE ' ' A' ' 110' ' ' MET . 4.6 m -47.28 -38.74 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.36 -29.09 6.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -59.95 -46.18 90.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.883 ' CE ' HG12 ' A' ' 107' ' ' VAL . 7.6 ptt? -77.9 -33.62 51.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 116.17 37.69 1.0 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.52 ' CD1' HD13 ' A' ' 42' ' ' ILE . 7.0 mm -122.72 145.14 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -116.52 130.44 56.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.439 HG23 HG21 ' A' ' 107' ' ' VAL . 2.3 pp -84.47 140.33 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.012 HD11 ' HG2' ' A' ' 41' ' ' LYS . 7.1 mp -95.1 -51.9 4.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 t -163.96 152.35 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.489 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.7 OUTLIER -130.39 106.27 8.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 119' ' ' ILE . 1.6 m -120.15 169.24 10.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.558 ' H ' HG22 ' A' ' 118' ' ' THR . 43.1 mm -103.76 139.08 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.715 ' HB2' HG23 ' A' ' 37' ' ' VAL . 1.6 tppt? -94.89 -72.38 0.62 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -148.23 143.9 27.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.561 HG13 ' HE1' ' A' ' 89' ' ' TYR . 2.3 p -131.57 115.78 29.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -131.76 174.49 10.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -124.9 134.72 52.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -54.99 -51.87 64.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.96 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.2 m -70.92 -0.18 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 39.24 42.86 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.14 -47.29 52.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 130' ' ' SER . 3.7 pp -82.5 -39.49 22.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.532 ' N ' HD12 ' A' ' 129' ' ' LEU . 2.2 m -64.47 -45.96 85.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -107.26 57.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.37 -32.32 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -139.45 -87.76 0.16 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -39.22 129.88 1.68 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.788 0.328 . . . . 0.0 110.824 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 4.1 t -164.09 142.44 7.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -92.05 111.95 23.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 40.3 m -94.85 -61.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.1 t -125.76 117.56 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -160.72 63.71 0.28 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 102.29 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.733 2.289 . . . . 0.0 112.313 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.5 t -42.16 119.76 1.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 89.7 p -166.0 147.08 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.486 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -57.25 144.22 36.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -81.09 -52.0 7.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.23 38.56 1.22 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 m -63.75 104.65 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.902 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -125.61 127.54 46.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.15 54.87 0.8 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 50.21 45.57 25.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -161.21 125.76 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 tp -56.5 142.15 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -120.99 127.57 51.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.05 91.39 0.89 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -126.04 153.34 44.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.2 mt -103.43 132.44 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.736 ' SD ' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -121.98 138.38 54.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 m -96.19 116.6 29.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.479 HD13 ' HG2' ' A' ' 15' ' ' MET . 7.3 mp -113.21 126.33 55.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 18' ' ' GLN . 6.1 mp0 -103.46 97.44 10.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.602 0.715 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.535 ' O ' HD22 ' A' ' 76' ' ' LEU . 53.9 Cg_endo -69.74 91.72 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -106.15 157.85 17.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.418 ' HB3' HG11 ' A' ' 24' ' ' VAL . 13.8 m -141.7 140.4 33.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -129.33 145.38 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 57.74 44.57 20.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.82 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 24' ' ' VAL . 14.5 m -108.17 75.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -39.56 124.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.793 HG23 ' O ' ' A' ' 30' ' ' VAL . 76.3 p -67.94 -175.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.85 -54.73 17.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.451 ' HG2' HG23 ' A' ' 30' ' ' VAL . 1.5 pm0 -70.04 -16.09 63.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.67 47.1 1.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.793 ' O ' HG23 ' A' ' 26' ' ' THR . 57.9 t -120.58 104.0 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.88 0.372 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.33 110.38 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.782 ' CD2' HG12 ' A' ' 30' ' ' VAL . 3.9 mm? -113.13 151.23 31.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.8 m -108.97 104.62 13.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.577 HG22 HG22 ' A' ' 122' ' ' VAL . 77.0 t -110.88 119.14 58.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.0 m -70.54 -58.85 3.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.39 143.02 0.21 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.452 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 120' ' ' LYS . 65.0 t -146.75 121.87 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.6 141.78 30.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -94.82 147.28 23.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.736 HG13 ' SD ' ' A' ' 15' ' ' MET . 8.7 p -148.16 161.06 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 40' ' ' VAL . 18.3 pttt -154.18 159.49 41.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.463 HD13 ' CD1' ' A' ' 112' ' ' ILE . 32.7 mm -78.85 121.38 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.064 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.5 mtt -47.07 172.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.41 163.81 12.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -109.06 115.31 29.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.9 mmtm -97.32 -49.41 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -125.08 -43.66 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 48' ' ' LEU . 1.8 pt? -160.92 133.42 6.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.818 HD11 ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -122.73 19.78 10.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.51 -32.79 5.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.575 HG13 ' N ' ' A' ' 52' ' ' ALA . 7.5 p -54.33 -52.0 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.818 ' HB3' HD11 ' A' ' 49' ' ' LEU . . . -104.47 18.34 22.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.5 t -89.28 -65.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -73.12 -24.12 60.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.594 ' OE1' ' CZ ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -61.31 -18.53 58.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.594 ' CZ ' ' OE1' ' A' ' 55' ' ' GLN . 23.1 m-85 -116.94 -50.31 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.4 mt -39.85 -33.22 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.76 -43.38 91.94 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.06 -175.76 2.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -94.27 156.45 16.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.534 HG23 ' N ' ' A' ' 62' ' ' GLN . 17.4 m -37.29 -50.16 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.534 ' N ' HG23 ' A' ' 61' ' ' VAL . 16.3 mt-30 -43.04 -66.05 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 64' ' ' ILE . 7.6 t70 -36.14 -63.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.615 ' H ' HD12 ' A' ' 64' ' ' ILE . 3.6 mp -36.33 -64.24 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -38.2 -49.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -62.12 -36.43 81.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 64' ' ' ILE . 84.6 t -65.4 -64.76 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.43 HG22 HG13 ' A' ' 112' ' ' ILE . 97.8 t -50.7 -29.07 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.411 ' CA ' HD23 ' A' ' 17' ' ' LEU . 36.7 tp -72.77 -41.57 64.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -58.97 -32.74 69.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.457 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 89.2 m -65.33 -61.06 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.6 mt -62.2 -38.76 90.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -59.16 -53.79 54.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.67 -43.0 53.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.46 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.786 ' CD2' ' HB2' ' A' ' 103' ' ' ALA . 89.8 m-70 -62.61 -36.91 84.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.535 HD22 ' O ' ' A' ' 19' ' ' PRO . 4.3 tp -59.16 -44.03 92.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.434 ' NE ' HG12 ' A' ' 24' ' ' VAL . 45.3 ttt180 -69.39 -40.24 77.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -64.89 -50.64 65.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.782 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 43.1 mm -65.04 -36.94 78.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.426 HD21 HG22 ' A' ' 26' ' ' THR . 6.8 tt -70.39 -44.44 68.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -48.91 -46.63 32.14 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.451 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 t -77.5 -11.66 59.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.861 0.362 . . . . 0.0 111.191 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 tp -98.82 129.98 45.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.6 p -73.13 140.28 46.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.679 ' HA ' HD12 ' A' ' 88' ' ' ILE . 2.3 p -38.25 -46.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.02 -57.21 14.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -44.94 -45.73 10.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 85' ' ' VAL . 49.2 mt -52.71 -36.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 90' ' ' GLN . 44.0 m-85 -76.34 -46.98 25.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 89' ' ' TYR . 36.0 mm-40 -33.85 -60.51 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.82 118.38 7.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -81.04 -51.04 8.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -47.08 -32.03 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.694 ' O ' HD12 ' A' ' 98' ' ' LEU . 8.3 tm0? -80.74 -32.97 35.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -68.48 -55.86 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.633 ' HB2' HG12 ' A' ' 119' ' ' ILE . . . -56.29 -20.06 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -71.62 -59.1 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 94' ' ' GLN . 5.5 mp -50.24 -18.47 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.85 -29.07 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.488 ' HB3' ' CB ' ' A' ' 117' ' ' PHE . 5.0 ptm180 -85.52 -39.8 17.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -69.02 -30.56 68.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.406 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 6.7 p -76.03 -35.49 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.786 ' HB2' ' CD2' ' A' ' 75' ' ' HIS . . . -84.16 -35.04 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.698 ' HB3' ' HD3' ' A' ' 105' ' ' PRO . . . -36.69 -56.81 1.3 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.616 0.722 . . . . 0.0 111.157 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.698 ' HD3' ' HB3' ' A' ' 104' ' ' ALA . 53.1 Cg_endo -69.77 -21.52 33.34 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' ALA . 1.5 m-20 -77.68 -59.23 2.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.548 HG21 HG23 ' A' ' 114' ' ' ILE . 20.7 m -51.63 -31.32 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.59 -18.36 23.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -72.79 -53.52 11.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.604 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 3.7 ptt? -68.26 -33.69 74.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 118.44 28.67 2.09 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.537 ' HB ' ' HE3' ' A' ' 110' ' ' MET . 41.5 mm -114.3 141.09 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.753 0.311 . . . . 0.0 111.159 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -114.33 133.42 55.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.651 ' O ' HD12 ' A' ' 114' ' ' ILE . 2.3 pp -91.38 130.88 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 40' ' ' VAL . 2.4 mm? -83.91 -55.62 4.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.2 m -156.27 169.54 24.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.488 ' CB ' ' HB3' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -145.79 117.0 7.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.681 HG22 ' H ' ' A' ' 119' ' ' ILE . 2.0 m -134.64 174.34 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.681 ' H ' HG22 ' A' ' 118' ' ' THR . 33.4 mm -113.38 135.53 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 40.6 tttm -91.08 -74.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -133.85 150.16 51.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.577 HG22 HG22 ' A' ' 34' ' ' VAL . 12.4 t -142.35 107.78 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -127.69 156.34 42.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' A' ' 124' ' ' ASP . 0.1 OUTLIER -88.89 111.81 22.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -57.13 -38.3 73.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 35.6 m -87.99 12.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 45.18 43.06 7.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 128' ' ' TYR . 2.6 t80 -68.54 -63.39 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.58 HD13 ' CD1' ' A' ' 132' ' ' LEU . 0.3 OUTLIER -59.39 -47.92 83.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.0 p -51.89 -28.31 15.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.3 t -85.64 32.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.58 ' CD1' HD13 ' A' ' 129' ' ' LEU . 55.9 mt -105.93 -31.96 8.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -137.96 -70.18 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -52.27 157.42 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 15.0 t -110.05 -8.78 14.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.086 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -146.51 123.16 11.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.966 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 6.4 t -82.37 -25.85 33.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.7 m -57.21 156.53 7.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -97.99 146.86 18.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 141' ' ' SER . 53.3 Cg_endo -69.79 -19.49 35.9 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 140' ' ' PRO . 38.6 m -35.38 137.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.815 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 141' ' ' SER . 98.4 p 35.25 42.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.454 -179.974 . . . . . . . . 0 0 . 1 stop_ save_